N-[cyano(phenyl)methyl]cyclobutanecarboxamide

C13H14N2O — CID 60699487

IUPACN-[cyano(phenyl)methyl]cyclobutanecarboxamide
SMILESN#CC(NC(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C13H14N2O/c14-9-12(10-5-2-1-3-6-10)15-13(16)11-7-4-8-11/h1-3,5-6,11-12H,4,7-8H2,(H,15,16)
InChIKeyHIPMANHDEHVYIY-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.17
Rot. Bonds3

About N-[cyano(phenyl)methyl]cyclobutanecarboxamide

N-[cyano(phenyl)methyl]cyclobutanecarboxamide (PubChem CID 60699487) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]cyclobutanecarboxamide
PubChem CID60699487
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-[cyano(phenyl)methyl]cyclobutanecarboxamide
SMILESN#CC(NC(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C13H14N2O/c14-9-12(10-5-2-1-3-6-10)15-13(16)11-7-4-8-11/h1-3,5-6,11-12H,4,7-8H2,(H,15,16)
InChIKeyHIPMANHDEHVYIY-UHFFFAOYSA-N
XLogP2.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano(phenyl)methyl]cycloheptanecarboxamide
CID 62586494
N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005788
N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide
CID 124606737
N-[cyano(phenyl)methyl]oxane-2-carboxamide
CID 62214242
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
1-[cyano(phenyl)methyl]-3-cyclohexylurea
CID 54904474
N-[cyano(phenyl)methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993515
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide
CID 82117900

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[cyano(phenyl)methyl]cyclobutanecarboxamide (CID 60699487) is N-[cyano(phenyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[cyano(phenyl)methyl]cyclobutanecarboxamide is N#CC(NC(=O)C1CCC1)c1ccccc1.
What is the InChIKey of N-[cyano(phenyl)methyl]cyclobutanecarboxamide?
The InChIKey is HIPMANHDEHVYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-9-12(10-5-2-1-3-6-10)15-13(16)11-7-4-8-11/h1-3,5-6,11-12H,4,7-8H2,(H,15,16).
What are the key properties of N-[cyano(phenyl)methyl]cyclobutanecarboxamide?
N-[cyano(phenyl)methyl]cyclobutanecarboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 60699487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).