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

C23H29NO — CID 94842470

IUPAC(E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
SMILESCC(C)(C)CC(C)(C)NC(=O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO/c1-22(2,3)17-23(4,5)24-21(25)20(19-14-10-7-11-15-19)16-18-12-8-6-9-13-18/h6-16H,17H2,1-5H3,(H,24,25)/b20-16+
InChIKeyLVXAYPOZNRVHFT-CAPFRKAQSA-N
MW335.49 g/mol
LogP5.56
Rot. Bonds5

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

(E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide (PubChem CID 94842470) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
PubChem CID94842470
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
SMILESCC(C)(C)CC(C)(C)NC(=O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO/c1-22(2,3)17-23(4,5)24-21(25)20(19-14-10-7-11-15-19)16-18-12-8-6-9-13-18/h6-16H,17H2,1-5H3,(H,24,25)/b20-16+
InChIKeyLVXAYPOZNRVHFT-CAPFRKAQSA-N
XLogP5.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.56
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-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 58159202
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate
CID 4270908
1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108903266
(E)-N-(2-methoxyethyl)-2,3-diphenylprop-2-enamide
CID 19174350
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide
CID 100544884
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
(E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide
CID 133240414
methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate
CID 102534464
ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate
CID 11289421
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The IUPAC name of (E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide (CID 94842470) is (E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide is CC(C)(C)CC(C)(C)NC(=O)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The InChIKey is LVXAYPOZNRVHFT-CAPFRKAQSA-N. The full InChI is InChI=1S/C23H29NO/c1-22(2,3)17-23(4,5)24-21(25)20(19-14-10-7-11-15-19)16-18-12-8-6-9-13-18/h6-16H,17H2,1-5H3,(H,24,25)/b20-16+.
What are the key properties of (E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
(E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide has a molecular weight of 335.49 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide is sourced from PubChem (CID 94842470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).