EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID10187977

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID10187977


InChI Key	DDZKTVIFMVNQSK-UHFFFAOYSA-N
Smiles	CC1(C)CC(CC(C)(C)N1)NC(=O)NC1CC(C)(C)NC(C)(C)C1
InChI	InChI=1S/C19H38N4O/c1-16(2)9-13(10-17(3,4)22-16)20-15(24)21-14-11-18(5,6)23-19(7,8)12-14/h13-14,22-23H,9-12H2,1-8H3,(H2,20,21,24)

InChI Key

DDZKTVIFMVNQSK-UHFFFAOYSA-N

Smiles

CC1(C)CC(CC(C)(C)N1)NC(=O)NC1CC(C)(C)NC(C)(C)C1

InChI

InChI=1S/C19H38N4O/c1-16(2)9-13(10-17(3,4)22-16)20-15(24)21-14-11-18(5,6)23-19(7,8)12-14/h13-14,22-23H,9-12H2,1-8H3,(H2,20,21,24)

Property Name	Value
Molecular Formula	C19H38N4O1
Molecular Weight	338.3
AlogP	3.11
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	68.68
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C19H38N4O1

Molecular Weight

338.3

AlogP

3.11

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

68.68

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	34402-56-7
NORMAN SUSDAT
PubChem	118165
ChemSpider	105601.0

Resources

Reference

CAS NUMBER

34402-56-7

NORMAN SUSDAT

PubChem

118165

ChemSpider

105601.0

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

1,3-BIS(2,2,6,6-TETRAMETHYL-4-PIPERIDYL)UREA

Structure

Physicochemical Descriptors

Cross References