1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide

C16H23N3O2 — CID 60854804

IUPAC1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)14(20)18-12-6-5-7-13(10-12)19-15(21)16(17)8-3-4-9-16/h5-7,10-11H,3-4,8-9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNTRCEXYYKWTMNX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.49
Rot. Bonds4

About 1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide

1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide (PubChem CID 60854804) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
PubChem CID60854804
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)14(20)18-12-6-5-7-13(10-12)19-15(21)16(17)8-3-4-9-16/h5-7,10-11H,3-4,8-9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNTRCEXYYKWTMNX-UHFFFAOYSA-N
XLogP2.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-[3-(2-methylpropanoylamino)phenyl]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-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
1-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883155
N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 79843543
1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119324028
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306290
1-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119341523
3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
CID 61157848
1-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293957
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
CID 81172976
1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119282587

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide (CID 60854804) is 1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide is CC(C)C(=O)Nc1cccc(NC(=O)C2(N)CCCC2)c1.
What is the InChIKey of 1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide?
The InChIKey is NTRCEXYYKWTMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)14(20)18-12-6-5-7-13(10-12)19-15(21)16(17)8-3-4-9-16/h5-7,10-11H,3-4,8-9,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide?
1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 60854804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).