N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide

C14H18N2O4 — CID 110493070

IUPACN-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide
SMILESCCCOc1ccc(NC(=O)C2CCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H18N2O4/c1-2-8-20-11-6-7-12(13(9-11)16(18)19)15-14(17)10-4-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,15,17)
InChIKeyJLLFCJBBMJXVLK-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.12
Rot. Bonds6

About N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide

N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide (PubChem CID 110493070) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide
PubChem CID110493070
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide
SMILESCCCOc1ccc(NC(=O)C2CCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H18N2O4/c1-2-8-20-11-6-7-12(13(9-11)16(18)19)15-14(17)10-4-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,15,17)
InChIKeyJLLFCJBBMJXVLK-UHFFFAOYSA-N
XLogP3.12
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide 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

2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493042
4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 108804459
N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide
CID 110493019
N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide
CID 110492997
2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493113
2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide
CID 110493104
1-(3-chlorophenyl)-3-(2-nitro-4-propoxyphenyl)urea
CID 110493012
2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide
CID 64823152
N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55632889
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
N-[2-nitro-4-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 139638246

Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide (CID 110493070) is N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide is CCCOc1ccc(NC(=O)C2CCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide?
The InChIKey is JLLFCJBBMJXVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-8-20-11-6-7-12(13(9-11)16(18)19)15-14(17)10-4-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,15,17).
What are the key properties of N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide?
N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide has a molecular weight of 278.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 110493070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).