1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide

C11H13N3O4 — CID 113385263

IUPAC1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O4/c1-18-9-3-2-7(6-8(9)14(16)17)13-10(15)11(12)4-5-11/h2-3,6H,4-5,12H2,1H3,(H,13,15)
InChIKeyCFOMEWPJWYNYMJ-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.03
Rot. Bonds4

About 1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide

1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 113385263) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID113385263
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O4/c1-18-9-3-2-7(6-8(9)14(16)17)13-10(15)11(12)4-5-11/h2-3,6H,4-5,12H2,1H3,(H,13,15)
InChIKeyCFOMEWPJWYNYMJ-UHFFFAOYSA-N
XLogP1.03
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.03
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

N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377
1-amino-N-(4-chloro-3-nitrophenyl)cyclobutane-1-carboxamide
CID 81178722
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
4-amino-N-(4-ethyl-3-nitrophenyl)oxane-4-carboxamide
CID 115294049
(E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 84552248
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
4-methoxy-N-methyl-3-nitroaniline
CID 4183507
1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide
CID 60867927
1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 65464390
phenyl N-(4-methoxy-3-nitrophenyl)carbamate
CID 12877201
3-amino-N-(4-ethyl-3-nitrophenyl)oxolane-3-carboxamide
CID 64893968
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
CID 108785557

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide (CID 113385263) is 1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(N)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is CFOMEWPJWYNYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-18-9-3-2-7(6-8(9)14(16)17)13-10(15)11(12)4-5-11/h2-3,6H,4-5,12H2,1H3,(H,13,15).
What are the key properties of 1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide?
1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide has a molecular weight of 251.24 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113385263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).