(E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide

C28H23NO2 — CID 6534022

IUPAC(E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO2/c30-28(27(24-14-8-3-9-15-24)20-22-10-4-1-5-11-22)29-25-16-18-26(19-17-25)31-21-23-12-6-2-7-13-23/h1-20H,21H2,(H,29,30)/b27-20+
InChIKeyZMCJZMNLBJIWOP-NHFJDJAPSA-N
MW405.50 g/mol
LogP6.44
Rot. Bonds7

About (E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide

(E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 6534022) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID6534022
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name(E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO2/c30-28(27(24-14-8-3-9-15-24)20-22-10-4-1-5-11-22)29-25-16-18-26(19-17-25)31-21-23-12-6-2-7-13-23/h1-20H,21H2,(H,29,30)/b27-20+
InChIKeyZMCJZMNLBJIWOP-NHFJDJAPSA-N
XLogP6.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
CID 143804226
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
N-(4-acetylphenyl)-N'-(4-phenylmethoxyphenyl)oxamide
CID 108987469
4-[[(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 2435484
N-[(Z)-3-oxo-1-phenyl-3-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]anilino]prop-1-en-2-yl]benzamide
CID 22786855
1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
CID 807898
4-[[(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 2435483
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid
CID 10526917
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide (CID 6534022) is (E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide is O=C(Nc1ccc(OCc2ccccc2)cc1)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is ZMCJZMNLBJIWOP-NHFJDJAPSA-N. The full InChI is InChI=1S/C28H23NO2/c30-28(27(24-14-8-3-9-15-24)20-22-10-4-1-5-11-22)29-25-16-18-26(19-17-25)31-21-23-12-6-2-7-13-23/h1-20H,21H2,(H,29,30)/b27-20+.
What are the key properties of (E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide?
(E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 405.50 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6534022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).