1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide

C21H25N3O3 — CID 36704616

IUPAC1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)c1
InChIInChI=1S/C21H25N3O3/c1-27-18-11-7-10-17(14-18)23-19(25)21(12-5-6-13-21)24-20(26)22-15-16-8-3-2-4-9-16/h2-4,7-11,14H,5-6,12-13,15H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyOSXUKJPKEDDSKV-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.45
Rot. Bonds6

About 1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide

1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 36704616) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID36704616
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)c1
InChIInChI=1S/C21H25N3O3/c1-27-18-11-7-10-17(14-18)23-19(25)21(12-5-6-13-21)24-20(26)22-15-16-8-3-2-4-9-16/h2-4,7-11,14H,5-6,12-13,15H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyOSXUKJPKEDDSKV-UHFFFAOYSA-N
XLogP3.45
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide 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-(benzylcarbamoylamino)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 33330452
N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide
CID 3222705
N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
CID 55972370
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide
CID 55617288
1-N'-(3-methoxyphenyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975290
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 62520319
1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 134019994

Frequently Asked Questions

What is the IUPAC name of 1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide (CID 36704616) is 1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide is COc1cccc(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)c1.
What is the InChIKey of 1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is OSXUKJPKEDDSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-18-11-7-10-17(14-18)23-19(25)21(12-5-6-13-21)24-20(26)22-15-16-8-3-2-4-9-16/h2-4,7-11,14H,5-6,12-13,15H2,1H3,(H,23,25)(H2,22,24,26).
What are the key properties of 1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide?
1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 36704616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).