(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide

C23H21NO — CID 132760659

IUPAC(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
SMILESCc1ccc(C(NC(=O)/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-18-12-15-21(16-13-18)23(20-10-6-3-7-11-20)24-22(25)17-14-19-8-4-2-5-9-19/h2-17,23H,1H3,(H,24,25)/b17-14+
InChIKeyUOVCMRLOAUGBEC-SAPNQHFASA-N
MW327.43 g/mol
LogP4.91
Rot. Bonds5

About (E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide

(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide (PubChem CID 132760659) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
PubChem CID132760659
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
SMILESCc1ccc(C(NC(=O)/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-18-12-15-21(16-13-18)23(20-10-6-3-7-11-20)24-22(25)17-14-19-8-4-2-5-9-19/h2-17,23H,1H3,(H,24,25)/b17-14+
InChIKeyUOVCMRLOAUGBEC-SAPNQHFASA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947102
(E)-N-[(R)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947103
(E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide
CID 43915668
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide
CID 7930993
(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide
CID 8928142
N-benzhydrylbut-2-enamide
CID 78906490
(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide
CID 92898615
(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 24843635
(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1186267
(E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide
CID 43904270

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide (CID 132760659) is (E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide is Cc1ccc(C(NC(=O)/C=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide?
The InChIKey is UOVCMRLOAUGBEC-SAPNQHFASA-N. The full InChI is InChI=1S/C23H21NO/c1-18-12-15-21(16-13-18)23(20-10-6-3-7-11-20)24-22(25)17-14-19-8-4-2-5-9-19/h2-17,23H,1H3,(H,24,25)/b17-14+.
What are the key properties of (E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide?
(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide has a molecular weight of 327.43 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 132760659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).