1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide

C15H18N2O — CID 78994342

IUPAC1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCc1cccc(CCNC(=O)C2(C#N)CCC2)c1
InChIInChI=1S/C15H18N2O/c1-12-4-2-5-13(10-12)6-9-17-14(18)15(11-16)7-3-8-15/h2,4-5,10H,3,6-9H2,1H3,(H,17,18)
InChIKeyGNDHFORWHLJBSU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.35
Rot. Bonds4

About 1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide

1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 78994342) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID78994342
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCc1cccc(CCNC(=O)C2(C#N)CCC2)c1
InChIInChI=1S/C15H18N2O/c1-12-4-2-5-13(10-12)6-9-17-14(18)15(11-16)7-3-8-15/h2,4-5,10H,3,6-9H2,1H3,(H,17,18)
InChIKeyGNDHFORWHLJBSU-UHFFFAOYSA-N
XLogP2.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62314860
1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 51246302
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
1-cyano-N-[2-(3-methylphenyl)ethyl]formamide
CID 115172562
1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 62313942
1-[[2-(3-methylphenyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446754
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 78995061
1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181683
1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242532
1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide
CID 78994707
1-cyano-N-[2-(furan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 78994732
1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
CID 80501020

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide (CID 78994342) is 1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide is Cc1cccc(CCNC(=O)C2(C#N)CCC2)c1.
What is the InChIKey of 1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is GNDHFORWHLJBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-4-2-5-13(10-12)6-9-17-14(18)15(11-16)7-3-8-15/h2,4-5,10H,3,6-9H2,1H3,(H,17,18).
What are the key properties of 1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide?
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 78994342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).