2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide

C14H19N3O3 — CID 82765923

IUPAC2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)CCCC1N
InChIInChI=1S/C14H19N3O3/c1-9-5-6-10(17(19)20)8-11(9)16-13(18)14(2)7-3-4-12(14)15/h5-6,8,12H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyOPGFNDWFDRFPNO-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.36
Rot. Bonds3

About 2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide

2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide (PubChem CID 82765923) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide
PubChem CID82765923
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)CCCC1N
InChIInChI=1S/C14H19N3O3/c1-9-5-6-10(17(19)20)8-11(9)16-13(18)14(2)7-3-4-12(14)15/h5-6,8,12H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyOPGFNDWFDRFPNO-UHFFFAOYSA-N
XLogP2.36
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765869
2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82764963
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide
CID 43004763
2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide
CID 82768378
(15S)-15-methyl-N-(2-methyl-5-nitrophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1041608
N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18588885
trans-(1R,2R)-3-methylidene-1-N,2-N-bis(2-methyl-5-nitrophenyl)cyclopropane-1,2-dicarboxamide
CID 2327600
2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977998
3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 63130968
2-amino-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)cyclopentane-1-carboxamide
CID 104619076
2-amino-N-(2-ethylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82765748

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide (CID 82765923) is 2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)CCCC1N.
What is the InChIKey of 2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide?
The InChIKey is OPGFNDWFDRFPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-5-6-10(17(19)20)8-11(9)16-13(18)14(2)7-3-4-12(14)15/h5-6,8,12H,3-4,7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide?
2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 82765923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).