1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide

C19H27N3O2 — CID 119810650

IUPAC1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(CNC(=O)C3(N)CC3)CCCC2)cc1C
InChIInChI=1S/C19H27N3O2/c1-13-5-6-15(11-14(13)2)22-16(23)18(7-3-4-8-18)12-21-17(24)19(20)9-10-19/h5-6,11H,3-4,7-10,12,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyODJXHQBSVJQMDW-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.41
Rot. Bonds5

About 1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide

1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide (PubChem CID 119810650) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
PubChem CID119810650
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(CNC(=O)C3(N)CC3)CCCC2)cc1C
InChIInChI=1S/C19H27N3O2/c1-13-5-6-15(11-14(13)2)22-16(23)18(7-3-4-8-18)12-21-17(24)19(20)9-10-19/h5-6,11H,3-4,7-10,12,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyODJXHQBSVJQMDW-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-amino-2-methylbutanoyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 120501902
1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119339036
5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide
CID 120637216
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433949
N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide
CID 119339009
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119810681
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
CID 115437382
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
N-(3,4-dimethylphenyl)-1-[[(2-methyl-3-pyridinyl)methylamino]methyl]cyclopentane-1-carboxamide
CID 166200582
3-[[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methylamino]methyl]benzoic acid
CID 122031736
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide (CID 119810650) is 1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2(CNC(=O)C3(N)CC3)CCCC2)cc1C.
What is the InChIKey of 1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide?
The InChIKey is ODJXHQBSVJQMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-5-6-15(11-14(13)2)22-16(23)18(7-3-4-8-18)12-21-17(24)19(20)9-10-19/h5-6,11H,3-4,7-10,12,20H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide?
1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119810650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).