N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide

C19H18N2O2 — CID 141078300

IUPACN-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C19H18N2O2/c1-14(22)6-11-19(23)21-13-15-7-9-16(10-8-15)18-5-3-2-4-17(18)12-20/h2-5,7-10H,6,11,13H2,1H3,(H,21,23)
InChIKeyLXQINYORYCSCCW-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.21
Rot. Bonds6

About N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide

N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide (PubChem CID 141078300) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide
PubChem CID141078300
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C19H18N2O2/c1-14(22)6-11-19(23)21-13-15-7-9-16(10-8-15)18-5-3-2-4-17(18)12-20/h2-5,7-10H,6,11,13H2,1H3,(H,21,23)
InChIKeyLXQINYORYCSCCW-UHFFFAOYSA-N
XLogP3.21
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
CID 11529658
N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide
CID 166239850
N-[2-[[4-(2-cyanophenyl)phenyl]methylamino]-2-hydroxyethyl]pentanamide
CID 175059823
N-[[4-(2-cyanophenyl)phenyl]methylcarbamothioyl]benzamide
CID 139663825
3-[4-(2-cyanophenyl)phenyl]propanoic acid
CID 1394467
N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]butanamide
CID 19012299
3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408499
N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide
CID 143478895
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113134685
1-[[4-(2-cyanophenyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122008904
[4-(2-cyanophenyl)phenyl]methylazanium
CID 34364496

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide?
The IUPAC name of N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide (CID 141078300) is N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide.
What is the SMILES notation for N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide?
The canonical SMILES for N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide is CC(=O)CCC(=O)NCc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide?
The InChIKey is LXQINYORYCSCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14(22)6-11-19(23)21-13-15-7-9-16(10-8-15)18-5-3-2-4-17(18)12-20/h2-5,7-10H,6,11,13H2,1H3,(H,21,23).
What are the key properties of N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide?
N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide has a molecular weight of 306.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide is sourced from PubChem (CID 141078300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).