1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide

C16H20N2O — CID 115183413

IUPAC1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(C#N)CCC1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-15(2,13-7-4-3-5-8-13)12-18-14(19)16(11-17)9-6-10-16/h3-5,7-8H,6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyDCLFAUGIAGZRIB-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.77
Rot. Bonds4

About 1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide

1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide (PubChem CID 115183413) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide
PubChem CID115183413
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(C#N)CCC1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-15(2,13-7-4-3-5-8-13)12-18-14(19)16(11-17)9-6-10-16/h3-5,7-8H,6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyDCLFAUGIAGZRIB-UHFFFAOYSA-N
XLogP2.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide
CID 80526850
2-(methylamino)-N-(2-methyl-2-phenylpropyl)acetamide
CID 60986486
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide
CID 141319600
1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide
CID 115181768
1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide
CID 115185485
3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119944553
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064
1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide
CID 104857177
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide (CID 115183413) is 1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide is CC(C)(CNC(=O)C1(C#N)CCC1)c1ccccc1.
What is the InChIKey of 1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide?
The InChIKey is DCLFAUGIAGZRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-15(2,13-7-4-3-5-8-13)12-18-14(19)16(11-17)9-6-10-16/h3-5,7-8H,6,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of 1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide?
1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.77, 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-methyl-2-phenylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115183413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).