5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide

C23H29N3O2 — CID 120637216

IUPAC5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide
SMILESCc1ccc(NC(=O)C2(CNC(=O)c3cc(N)ccc3C)CCCC2)cc1C
InChIInChI=1S/C23H29N3O2/c1-15-7-9-19(12-17(15)3)26-22(28)23(10-4-5-11-23)14-25-21(27)20-13-18(24)8-6-16(20)2/h6-9,12-13H,4-5,10-11,14,24H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyPUXGPJAKWBRRET-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.12
Rot. Bonds5

About 5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide

5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide (PubChem CID 120637216) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide
PubChem CID120637216
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide
SMILESCc1ccc(NC(=O)C2(CNC(=O)c3cc(N)ccc3C)CCCC2)cc1C
InChIInChI=1S/C23H29N3O2/c1-15-7-9-19(12-17(15)3)26-22(28)23(10-4-5-11-23)14-25-21(27)20-13-18(24)8-6-16(20)2/h6-9,12-13H,4-5,10-11,14,24H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyPUXGPJAKWBRRET-UHFFFAOYSA-N
XLogP4.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 119810650
1-[[(3-amino-2-methylbutanoyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 120501902
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119339036
N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide
CID 119339009
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433949
5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 120643871
N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119810681
5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide
CID 120646901
1-[[(5-amino-2-bromobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445974
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride
CID 120646718

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide (CID 120637216) is 5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide is Cc1ccc(NC(=O)C2(CNC(=O)c3cc(N)ccc3C)CCCC2)cc1C.
What is the InChIKey of 5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide?
The InChIKey is PUXGPJAKWBRRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-15-7-9-19(12-17(15)3)26-22(28)23(10-4-5-11-23)14-25-21(27)20-13-18(24)8-6-16(20)2/h6-9,12-13H,4-5,10-11,14,24H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide?
5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 120637216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).