1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide

C13H14N2O2 — CID 78994745

IUPAC1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1(C#N)CCC1
InChIInChI=1S/C13H14N2O2/c1-17-11-6-3-2-5-10(11)15-12(16)13(9-14)7-4-8-13/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)
InChIKeyIPJWPACAOLVVMX-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.33
Rot. Bonds3

About 1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide

1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide (PubChem CID 78994745) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
PubChem CID78994745
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1(C#N)CCC1
InChIInChI=1S/C13H14N2O2/c1-17-11-6-3-2-5-10(11)15-12(16)13(9-14)7-4-8-13/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)
InChIKeyIPJWPACAOLVVMX-UHFFFAOYSA-N
XLogP2.33
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720
1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
CID 107468358
1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 78994979
1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 29240891
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 78994957
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 65109213
N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
CID 103479524
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949
1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide
CID 115183237

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide (CID 78994745) is 1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide is COc1ccccc1NC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is IPJWPACAOLVVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-11-6-3-2-5-10(11)15-12(16)13(9-14)7-4-8-13/h2-3,5-6H,4,7-8H2,1H3,(H,15,16).
What are the key properties of 1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide?
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78994745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).