(Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide

C24H23NO2 — CID 53338507

IUPAC(Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide
SMILESCOc1ccc(C(NC(=O)/C=C(/C)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO2/c1-18(19-9-5-3-6-10-19)17-23(26)25-24(20-11-7-4-8-12-20)21-13-15-22(27-2)16-14-21/h3-17,24H,1-2H3,(H,25,26)/b18-17-
InChIKeyWMOMDRTXZCXXML-ZCXUNETKSA-N
MW357.45 g/mol
LogP5.00
Rot. Bonds6

About (Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide

(Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide (PubChem CID 53338507) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide
PubChem CID53338507
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide
SMILESCOc1ccc(C(NC(=O)/C=C(/C)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO2/c1-18(19-9-5-3-6-10-19)17-23(26)25-24(20-11-7-4-8-12-20)21-13-15-22(27-2)16-14-21/h3-17,24H,1-2H3,(H,25,26)/b18-17-
InChIKeyWMOMDRTXZCXXML-ZCXUNETKSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
(E)-3-(4-methoxyphenyl)-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]but-2-enamide
CID 110306126
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
CID 101077412
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[2-[[(E)-3-(4-methoxyphenyl)but-2-enoyl]amino]ethyl]benzamide
CID 110309408
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
N-[(4-methoxyphenyl)-phenylmethyl]-2,2-diphenylpropanamide
CID 5198788
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
2-(3-acetylphenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 78798600

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide?
The IUPAC name of (Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide (CID 53338507) is (Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide.
What is the SMILES notation for (Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide?
The canonical SMILES for (Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide is COc1ccc(C(NC(=O)/C=C(/C)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide?
The InChIKey is WMOMDRTXZCXXML-ZCXUNETKSA-N. The full InChI is InChI=1S/C24H23NO2/c1-18(19-9-5-3-6-10-19)17-23(26)25-24(20-11-7-4-8-12-20)21-13-15-22(27-2)16-14-21/h3-17,24H,1-2H3,(H,25,26)/b18-17-.
What are the key properties of (Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide?
(Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide has a molecular weight of 357.45 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(4-methoxyphenyl)-phenylmethyl]-3-phenylbut-2-enamide is sourced from PubChem (CID 53338507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).