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

C16H20N2O — CID 115183394

IUPAC1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCc1ccccc1CCN(C)C(=O)C1(C#N)CCC1
InChIInChI=1S/C16H20N2O/c1-13-6-3-4-7-14(13)8-11-18(2)15(19)16(12-17)9-5-10-16/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyWSRPJRBGCOKLIY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.69
Rot. Bonds4

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

1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 115183394) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID115183394
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCc1ccccc1CCN(C)C(=O)C1(C#N)CCC1
InChIInChI=1S/C16H20N2O/c1-13-6-3-4-7-14(13)8-11-18(2)15(19)16(12-17)9-5-10-16/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyWSRPJRBGCOKLIY-UHFFFAOYSA-N
XLogP2.69
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181749
1-cyano-N-[2-(3-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115183397
1-(hydroxymethyl)-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182456
1-cyano-N-methyl-N-[2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181721
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183388
1-cyano-N-methyl-N-(2-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 115181752
1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide
CID 112698091
N-methyl-N-[2-(2-methylphenyl)ethyl]-2-oxoacetamide
CID 115166755
1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181731
1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 134031079
1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide
CID 111758296

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide (CID 115183394) is 1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide is Cc1ccccc1CCN(C)C(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is WSRPJRBGCOKLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-6-3-4-7-14(13)8-11-18(2)15(19)16(12-17)9-5-10-16/h3-4,6-7H,5,8-11H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide?
1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115183394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).