N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide

C17H16N2O — CID 47407952

IUPACN-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
SMILESCN(C(=O)CCc1ccccc1)c1cccc(C#N)c1
InChIInChI=1S/C17H16N2O/c1-19(16-9-5-8-15(12-16)13-18)17(20)11-10-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3
InChIKeyVWKDLRXJZUOELR-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.15
Rot. Bonds4

About N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide

N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide (PubChem CID 47407952) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
PubChem CID47407952
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
SMILESCN(C(=O)CCc1ccccc1)c1cccc(C#N)c1
InChIInChI=1S/C17H16N2O/c1-19(16-9-5-8-15(12-16)13-18)17(20)11-10-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3
InChIKeyVWKDLRXJZUOELR-UHFFFAOYSA-N
XLogP3.15
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
5-bromo-N-(3-cyanophenyl)-N-methylpentanamide
CID 107910030
6-amino-N-(3-cyanophenyl)-N-methylhexanamide
CID 62983019
N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide
CID 62982673
2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
CID 60616456
N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide
CID 78974691
N-(3-cyanophenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylpropanamide
CID 47077347
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide
CID 113064234
3-[[(3-cyanophenyl)-methylcarbamoyl]-methylamino]propanoic acid
CID 62981867
N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 47407985
2-[carboxymethyl-[(3-cyanophenyl)-methylcarbamoyl]amino]acetic acid
CID 63645997
3-[methyl(4-phenylbutyl)amino]benzonitrile
CID 114333608

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide (CID 47407952) is N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide is CN(C(=O)CCc1ccccc1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide?
The InChIKey is VWKDLRXJZUOELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19(16-9-5-8-15(12-16)13-18)17(20)11-10-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3.
What are the key properties of N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide?
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide has a molecular weight of 264.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 47407952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).