(E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide

C20H23NO — CID 133240414

IUPAC(E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide
SMILESCC(C)C(C)NC(=O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO/c1-15(2)16(3)21-20(22)19(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-16H,1-3H3,(H,21,22)/b19-14+
InChIKeyQWJRONFQMKEMAT-XMHGGMMESA-N
MW293.41 g/mol
LogP4.39
Rot. Bonds5

About (E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide

(E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide (PubChem CID 133240414) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide
PubChem CID133240414
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide
SMILESCC(C)C(C)NC(=O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO/c1-15(2)16(3)21-20(22)19(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-16H,1-3H3,(H,21,22)/b19-14+
InChIKeyQWJRONFQMKEMAT-XMHGGMMESA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.39
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

2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
(E)-3-(2-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-2-phenylprop-2-enamide
CID 100561841
4-methyl-1,2-diphenylpent-1-en-3-one
CID 54502058
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide
CID 92683153
(Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide
CID 108760126
(E)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2,3-diphenylprop-2-enamide
CID 99959671
(E)-N-(2-methoxyethyl)-2,3-diphenylprop-2-enamide
CID 19174350
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
(E)-6-methyl-1,2-diphenylhept-1-ene-3,4-dione
CID 102352907
2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide
CID 4121626
ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate
CID 11289421

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide (CID 133240414) is (E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide is CC(C)C(C)NC(=O)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide?
The InChIKey is QWJRONFQMKEMAT-XMHGGMMESA-N. The full InChI is InChI=1S/C20H23NO/c1-15(2)16(3)21-20(22)19(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-16H,1-3H3,(H,21,22)/b19-14+.
What are the key properties of (E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide?
(E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide has a molecular weight of 293.41 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 133240414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).