(E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide

C25H22N2O2 — CID 99937613

IUPAC(E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N2O2/c28-24-12-7-17-27(24)22-15-13-21(14-16-22)26-25(29)23(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19/h1-6,8-11,13-16,18H,7,12,17H2,(H,26,29)/b23-18+
InChIKeyNTOKETZENDYOOO-PTGBLXJZSA-N
MW382.46 g/mol
LogP4.99
Rot. Bonds5

About (E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide

(E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide (PubChem CID 99937613) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is (E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide
PubChem CID99937613
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name(E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22N2O2/c28-24-12-7-17-27(24)22-15-13-21(14-16-22)26-25(29)23(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19/h1-6,8-11,13-16,18H,7,12,17H2,(H,26,29)/b23-18+
InChIKeyNTOKETZENDYOOO-PTGBLXJZSA-N
XLogP4.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.99
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-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679220
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 16764862
N'-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679226
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 55355341
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55381351
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 9361387

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide (CID 99937613) is (E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide is O=C(Nc1ccc(N2CCCC2=O)cc1)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide?
The InChIKey is NTOKETZENDYOOO-PTGBLXJZSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-24-12-7-17-27(24)22-15-13-21(14-16-22)26-25(29)23(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19/h1-6,8-11,13-16,18H,7,12,17H2,(H,26,29)/b23-18+.
What are the key properties of (E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide?
(E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide has a molecular weight of 382.46 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 99937613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).