N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide

C18H18N2O — CID 42959795

IUPACN-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(C#N)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c1-13(2)18(21)20-16-10-8-15(9-11-16)17(12-19)14-6-4-3-5-7-14/h3-11,13,17H,1-2H3,(H,20,21)
InChIKeyJCECARWRZMYCPB-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.94
Rot. Bonds4

About N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide

N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide (PubChem CID 42959795) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide
PubChem CID42959795
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(C#N)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c1-13(2)18(21)20-16-10-8-15(9-11-16)17(12-19)14-6-4-3-5-7-14/h3-11,13,17H,1-2H3,(H,20,21)
InChIKeyJCECARWRZMYCPB-UHFFFAOYSA-N
XLogP3.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[cyano(phenyl)methyl]phenyl]acetamide
CID 2832029
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide
CID 104916745
(2S)-2-(4-iodophenyl)-2-phenylacetonitrile
CID 97184112
2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
CID 2764122
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide
CID 21483159
2-[2-[cyano(phenyl)methyl]phenyl]acetic acid
CID 70495221
N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide
CID 46799402
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-phenylethynyl)benzamide
CID 39723048
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide (CID 42959795) is N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(C#N)c2ccccc2)cc1.
What is the InChIKey of N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide?
The InChIKey is JCECARWRZMYCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(2)18(21)20-16-10-8-15(9-11-16)17(12-19)14-6-4-3-5-7-14/h3-11,13,17H,1-2H3,(H,20,21).
What are the key properties of N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide?
N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide has a molecular weight of 278.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 42959795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).