EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	N27U463R93
EPA CompTox	DTXSID30240477

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

N27U463R93

EPA CompTox

DTXSID30240477


InChI Key	JGQKZMFKXLKHAZ-UHFFFAOYSA-N
Smiles	Cl.O=C(Nc1ccc(OCCN2CCOCC2)cc1)OC1CCCCC1
InChI	InChI=1S/C19H28N2O4/c22-19(25-18-4-2-1-3-5-18)20-16-6-8-17(9-7-16)24-15-12-21-10-13-23-14-11-21/h6-9,18H,1-5,10-15H2,(H,20,22)

InChI Key

JGQKZMFKXLKHAZ-UHFFFAOYSA-N

Smiles

Cl.O=C(Nc1ccc(OCCN2CCOCC2)cc1)OC1CCCCC1

InChI

InChI=1S/C19H28N2O4/c22-19(25-18-4-2-1-3-5-18)20-16-6-8-17(9-7-16)24-15-12-21-10-13-23-14-11-21/h6-9,18H,1-5,10-15H2,(H,20,22)

Property Name	Value
Molecular Formula	C19H28N2O4
Molecular Weight	348.2
AlogP	3.28
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	60.03
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C19H28N2O4

Molecular Weight

348.2

AlogP

3.28

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

60.03

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	94088-64-9
NORMAN SUSDAT
FDA SRS	N27U463R93
PubChem	91981071
ChemSpider	2289682.0

Resources

Reference

CAS NUMBER

94088-64-9

NORMAN SUSDAT

FDA SRS

N27U463R93

PubChem

91981071

ChemSpider

2289682.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

CYCLOHEXYL (4-(2-MORPHOLINOETHOXY)PHENYL)CARBAMATE MONOHYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References