1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide

C14H16N2O3 — CID 78994979

IUPAC1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C#N)CCC2)cc1OC
InChIInChI=1S/C14H16N2O3/c1-18-11-5-4-10(8-12(11)19-2)16-13(17)14(9-15)6-3-7-14/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyAIKGZOIVUWEHDV-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.34
Rot. Bonds4

About 1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide

1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide (PubChem CID 78994979) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
PubChem CID78994979
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C#N)CCC2)cc1OC
InChIInChI=1S/C14H16N2O3/c1-18-11-5-4-10(8-12(11)19-2)16-13(17)14(9-15)6-3-7-14/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyAIKGZOIVUWEHDV-UHFFFAOYSA-N
XLogP2.34
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-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

1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745
1-carbamothioyl-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80591866
1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 29240891
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788
1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 51246302
1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide
CID 114839825
N-(3-bromo-4-methoxyphenyl)-3-cyanooxetane-3-carboxamide
CID 115184554
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide
CID 78995000

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide (CID 78994979) is 1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide is COc1ccc(NC(=O)C2(C#N)CCC2)cc1OC.
What is the InChIKey of 1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is AIKGZOIVUWEHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-11-5-4-10(8-12(11)19-2)16-13(17)14(9-15)6-3-7-14/h4-5,8H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of 1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide?
1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78994979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).