(E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide

C24H20N2O — CID 147682121

IUPAC(E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide
SMILESN#Cc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H20N2O/c25-17-21-13-11-20(12-14-21)15-16-24(27)26(18-22-7-3-1-4-8-22)19-23-9-5-2-6-10-23/h1-16H,18-19H2/b16-15+
InChIKeyGPIAXYBQNBZREK-FOCLMDBBSA-N
MW352.44 g/mol
LogP4.80
Rot. Bonds6

About (E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide

(E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide (PubChem CID 147682121) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is (E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide
PubChem CID147682121
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name(E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide
SMILESN#Cc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H20N2O/c25-17-21-13-11-20(12-14-21)15-16-24(27)26(18-22-7-3-1-4-8-22)19-23-9-5-2-6-10-23/h1-16H,18-19H2/b16-15+
InChIKeyGPIAXYBQNBZREK-FOCLMDBBSA-N
XLogP4.80
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-Dibenzyl-N,N'-diethyl-terephthalamide
CID 1005063
(E,E)-2-(benzylaminocarbonyl)-3-styrylacrylonitrile
CID 5835419
(E)-3-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]-N-methyl-N-octylprop-2-enamide
CID 9913015
4-[(3-Acetyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]benzonitrile
CID 3235461
1-Allyl-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
CID 1488306
(Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide
CID 6379633
N-[5-(Benzyl-ethyl-amino)-pentyl]-N-[(E)-(3-phenyl-acryloyl)]-acetamide
CID 15741729
(E)-4-chloro-N-[(4-cyanophenyl)methyl]-N-(2-methylpropyl)pent-2-enamide
CID 13121818
(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide
CID 2095128
N,N'-dibenzyl-2-[(4-cyanophenyl)methylidene]propanediamide
CID 2339625
4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile
CID 2559339
4-[(9-Acetyl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 3233592

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide?
The IUPAC name of (E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide (CID 147682121) is (E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide?
The canonical SMILES for (E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide is N#Cc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of (E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide?
The InChIKey is GPIAXYBQNBZREK-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H20N2O/c25-17-21-13-11-20(12-14-21)15-16-24(27)26(18-22-7-3-1-4-8-22)19-23-9-5-2-6-10-23/h1-16H,18-19H2/b16-15+.
What are the key properties of (E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide?
(E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide has a molecular weight of 352.44 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibenzyl-3-(4-cyanophenyl)prop-2-enamide is sourced from PubChem (CID 147682121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).