(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide

C23H21NO — CID 6534390

IUPAC(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
SMILESCCc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-2-18-13-15-21(16-14-18)24-23(25)22(20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-17H,2H2,1H3,(H,24,25)/b22-17+
InChIKeyVODXPZJEBBVWAP-OQKWZONESA-N
MW327.43 g/mol
LogP5.43
Rot. Bonds5

About (E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide

(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide (PubChem CID 6534390) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
PubChem CID6534390
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
SMILESCCc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-2-18-13-15-21(16-14-18)24-23(25)22(20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-17H,2H2,1H3,(H,24,25)/b22-17+
InChIKeyVODXPZJEBBVWAP-OQKWZONESA-N
XLogP5.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 126035738
propyl 4-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate
CID 6380758
(E)-2-(4-ethylphenyl)-3-phenylprop-2-enoic acid
CID 125466600
(Z)-2,3-diphenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide
CID 1231817
(E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6534022
N-(4-ethylphenyl)benzamide
CID 774063
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide
CID 6523072
ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate
CID 19165915
(Z)-2,3-bis(4-ethylphenyl)prop-2-enoic acid
CID 83953215
(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
CID 19170307
(E)-N-(2-ethoxyphenyl)-2,3-diphenylprop-2-enamide
CID 6522812

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide (CID 6534390) is (E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide is CCc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide?
The InChIKey is VODXPZJEBBVWAP-OQKWZONESA-N. The full InChI is InChI=1S/C23H21NO/c1-2-18-13-15-21(16-14-18)24-23(25)22(20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-17H,2H2,1H3,(H,24,25)/b22-17+.
What are the key properties of (E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide?
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide has a molecular weight of 327.43 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 6534390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).