1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide

C13H17N3O4 — CID 115452553

IUPAC1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(CN)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O4/c1-2-20-9-3-4-10(11(7-9)16(18)19)15-12(17)13(8-14)5-6-13/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,17)
InChIKeyBQSBWLIXZQKUQW-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.67
Rot. Bonds6

About 1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 115452553) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID115452553
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(CN)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O4/c1-2-20-9-3-4-10(11(7-9)16(18)19)15-12(17)13(8-14)5-6-13/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,17)
InChIKeyBQSBWLIXZQKUQW-UHFFFAOYSA-N
XLogP1.67
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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'}

Analyze 1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide
CID 115434825
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
2-amino-N-(4-ethoxy-2-nitrophenyl)-3-methylbutanamide
CID 60780427
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
4-(4-ethoxy-2-nitroanilino)-4-oxobut-2-enoate
CID 7175755
N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413316
3-ethyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-3-carboxamide
CID 63139072
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide (CID 115452553) is 1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide is CCOc1ccc(NC(=O)C2(CN)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is BQSBWLIXZQKUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-20-9-3-4-10(11(7-9)16(18)19)15-12(17)13(8-14)5-6-13/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,17).
What are the key properties of 1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-ethoxy-2-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115452553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).