EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	RU10K34QRU

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

RU10K34QRU


InChI Key	BWNLUIXQIHPUGO-RDTXWAMCSA-N
Smiles	C[C@H](C[C@@](C(N)=O)(c1ccccc1)c2ccccn2)N(C)C
InChI	InChI=1S/C18H23N3O/c1-14(21(2)3)13-18(17(19)22,15-9-5-4-6-10-15)16-11-7-8-12-20-16/h4-12,14H,13H2,1-3H3,(H2,19,22)/t14-,18-/m1/s1

InChI Key

BWNLUIXQIHPUGO-RDTXWAMCSA-N

Smiles

C[C@H](C[C@@](C(N)=O)(c1ccccc1)c2ccccn2)N(C)C

InChI

InChI=1S/C18H23N3O/c1-14(21(2)3)13-18(17(19)22,15-9-5-4-6-10-15)16-11-7-8-12-20-16/h4-12,14H,13H2,1-3H3,(H2,19,22)/t14-,18-/m1/s1

Property Name	Value
Molecular Formula	C18H23N3O1
Molecular Weight	297.18
AlogP	3.24
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	60.21
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C18H23N3O1

Molecular Weight

297.18

AlogP

3.24

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

60.21

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	132373-81-0
NORMAN SUSDAT
FDA SRS	RU10K34QRU

Resources

Reference

CAS NUMBER

132373-81-0

NORMAN SUSDAT

FDA SRS

RU10K34QRU

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...

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

Last update: Monday, 3 November 2025

VAMICAMIDE

Structure

Physicochemical Descriptors

Cross References