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

C16H20N2O — CID 80502059

IUPAC1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C16H20N2O/c1-11-8-16(9-11,10-17)15(19)18-13(3)14-7-5-4-6-12(14)2/h4-7,11,13H,8-9H2,1-3H3,(H,18,19)
InChIKeyIIRPVURNMCYPFK-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.11
Rot. Bonds3

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

1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 80502059) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID80502059
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C16H20N2O/c1-11-8-16(9-11,10-17)15(19)18-13(3)14-7-5-4-6-12(14)2/h4-7,11,13H,8-9H2,1-3H3,(H,18,19)
InChIKeyIIRPVURNMCYPFK-UHFFFAOYSA-N
XLogP3.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-3-methyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 80501128
1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80502263
1-(aminomethyl)-4-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115442483
2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51164492
1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide
CID 113351969
1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 99703015
1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 55037857
4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115294658
4-amino-N-[(1S)-1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115295233
2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81379976
methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81380051

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide (CID 80502059) is 1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide is Cc1ccccc1C(C)NC(=O)C1(C#N)CC(C)C1.
What is the InChIKey of 1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is IIRPVURNMCYPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-8-16(9-11,10-17)15(19)18-13(3)14-7-5-4-6-12(14)2/h4-7,11,13H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80502059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).