N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide

C15H21N3O2 — CID 60868462

IUPACN-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(N)CCCC2)cc1C
InChIInChI=1S/C15H21N3O2/c1-10-9-12(5-6-13(10)17-11(2)19)18-14(20)15(16)7-3-4-8-15/h5-6,9H,3-4,7-8,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAFQPANWSVXUNNV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.16
Rot. Bonds3

About N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide

N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide (PubChem CID 60868462) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
PubChem CID60868462
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(N)CCCC2)cc1C
InChIInChI=1S/C15H21N3O2/c1-10-9-12(5-6-13(10)17-11(2)19)18-14(20)15(16)7-3-4-8-15/h5-6,9H,3-4,7-8,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAFQPANWSVXUNNV-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
1-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclohexane-1-carboxamide
CID 119298093
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635
4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119318653
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
1-amino-N-(2-methyl-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60927272
1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119673461

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide (CID 60868462) is N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide is CC(=O)Nc1ccc(NC(=O)C2(N)CCCC2)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide?
The InChIKey is AFQPANWSVXUNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-9-12(5-6-13(10)17-11(2)19)18-14(20)15(16)7-3-4-8-15/h5-6,9H,3-4,7-8,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide?
N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide is sourced from PubChem (CID 60868462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).