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

C13H17N3O4 — CID 60867927

IUPAC1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(N)CCCC1
InChIInChI=1S/C13H17N3O4/c1-20-11-5-4-9(16(18)19)8-10(11)15-12(17)13(14)6-2-3-7-13/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,17)
InChIKeyCPCSLBOEPOIUCE-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.81
Rot. Bonds4

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

1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide (PubChem CID 60867927) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide
PubChem CID60867927
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1(N)CCCC1
InChIInChI=1S/C13H17N3O4/c1-20-11-5-4-9(16(18)19)8-10(11)15-12(17)13(14)6-2-3-7-13/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,17)
InChIKeyCPCSLBOEPOIUCE-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765869
3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 63744800
1-amino-N-(2-hydroxy-4-nitrophenyl)cyclopropane-1-carboxamide
CID 107744191
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782632
2-amino-N-(2-methoxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 64822909
1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide
CID 65464856
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide
CID 119277803
1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide
CID 113385263

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide (CID 60867927) is 1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide?
The InChIKey is CPCSLBOEPOIUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-20-11-5-4-9(16(18)19)8-10(11)15-12(17)13(14)6-2-3-7-13/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,17).
What are the key properties of 1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide?
1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60867927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).