2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide

C14H19N3O4 — CID 82765869

IUPAC2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)CCCC1N
InChIInChI=1S/C14H19N3O4/c1-14(7-3-4-12(14)15)13(18)16-10-8-9(17(19)20)5-6-11(10)21-2/h5-6,8,12H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyOQJGIMNEDHXXRO-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.06
Rot. Bonds4

About 2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82765869) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82765869
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)CCCC1N
InChIInChI=1S/C14H19N3O4/c1-14(7-3-4-12(14)15)13(18)16-10-8-9(17(19)20)5-6-11(10)21-2/h5-6,8,12H,3-4,7,15H2,1-2H3,(H,16,18)
InChIKeyOQJGIMNEDHXXRO-UHFFFAOYSA-N
XLogP2.06
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide
CID 82765923
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide
CID 82763579
1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide
CID 60867927
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
2-amino-N-(2-methoxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 64822909
2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82768541
1-[(2-methoxy-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62881395
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9265449
2-amino-N-(3-fluoro-4-nitrophenyl)-1-methylcyclopentane-1-carboxamide
CID 82768378
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide;hydrochloride
CID 120774538
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide (CID 82765869) is 2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)CCCC1N.
What is the InChIKey of 2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is OQJGIMNEDHXXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(7-3-4-12(14)15)13(18)16-10-8-9(17(19)20)5-6-11(10)21-2/h5-6,8,12H,3-4,7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82765869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).