2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide

C22H23N3O3 — CID 167779349

IUPAC2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide
SMILESN#Cc1cccc(CNC(=O)COc2ccccc2C(=O)NC2CCCC2)c1
InChIInChI=1S/C22H23N3O3/c23-13-16-6-5-7-17(12-16)14-24-21(26)15-28-20-11-4-3-10-19(20)22(27)25-18-8-1-2-9-18/h3-7,10-12,18H,1-2,8-9,14-15H2,(H,24,26)(H,25,27)
InChIKeyLAOQFWUGAHAGRO-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.93
Rot. Bonds7

About 2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide

2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide (PubChem CID 167779349) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide
PubChem CID167779349
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide
SMILESN#Cc1cccc(CNC(=O)COc2ccccc2C(=O)NC2CCCC2)c1
InChIInChI=1S/C22H23N3O3/c23-13-16-6-5-7-17(12-16)14-24-21(26)15-28-20-11-4-3-10-19(20)22(27)25-18-8-1-2-9-18/h3-7,10-12,18H,1-2,8-9,14-15H2,(H,24,26)(H,25,27)
InChIKeyLAOQFWUGAHAGRO-UHFFFAOYSA-N
XLogP2.93
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
CID 47216904
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide
CID 61103319
N-benzyl-2-(3-cyanophenoxy)acetamide
CID 2591402
N-cyclopentyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 87021771
N-[(3-chlorophenyl)methyl]-2-(3-cyanophenoxy)acetamide
CID 7963971
N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide
CID 62676322
N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
CID 60769167
N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide
CID 78903302
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide?
The IUPAC name of 2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide (CID 167779349) is 2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide.
What is the SMILES notation for 2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide?
The canonical SMILES for 2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide is N#Cc1cccc(CNC(=O)COc2ccccc2C(=O)NC2CCCC2)c1.
What is the InChIKey of 2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide?
The InChIKey is LAOQFWUGAHAGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c23-13-16-6-5-7-17(12-16)14-24-21(26)15-28-20-11-4-3-10-19(20)22(27)25-18-8-1-2-9-18/h3-7,10-12,18H,1-2,8-9,14-15H2,(H,24,26)(H,25,27).
What are the key properties of 2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide?
2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide has a molecular weight of 377.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide is sourced from PubChem (CID 167779349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).