2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide

C13H17N3O4 — CID 64823152

IUPAC2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCC2N)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O4/c1-20-8-5-6-11(12(7-8)16(18)19)15-13(17)9-3-2-4-10(9)14/h5-7,9-10H,2-4,14H2,1H3,(H,15,17)
InChIKeyYKQLKWHCPDPIDR-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.67
Rot. Bonds4

About 2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide

2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide (PubChem CID 64823152) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide
PubChem CID64823152
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCC2N)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O4/c1-20-8-5-6-11(12(7-8)16(18)19)15-13(17)9-3-2-4-10(9)14/h5-7,9-10H,2-4,14H2,1H3,(H,15,17)
InChIKeyYKQLKWHCPDPIDR-UHFFFAOYSA-N
XLogP1.67
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.67
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

(1R,2R,4S,5R)-N-(4-methoxy-2-nitrophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98186911
2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide
CID 64824134
1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 108804459
2-amino-N-(2-methoxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 64822909
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CID 4879335
N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide
CID 114423073
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
N-(2,6-dimethylcyclohexyl)-4-methoxy-2-nitroaniline
CID 43717852
2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide
CID 23255692
4-(4-methoxy-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 60808258
N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide
CID 110493070
1-(4-chlorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 16925178

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide (CID 64823152) is 2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2CCCC2N)c([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide?
The InChIKey is YKQLKWHCPDPIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-20-8-5-6-11(12(7-8)16(18)19)15-13(17)9-3-2-4-10(9)14/h5-7,9-10H,2-4,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide?
2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 64823152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).