2-acetamido-3,3-diphenylprop-2-enoic acid

C17H15NO3 — CID 134870656

IUPAC2-acetamido-3,3-diphenylprop-2-enoic acid
SMILESCC(=O)NC(C(=O)O)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO3/c1-12(19)18-16(17(20)21)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKeyWQBLRGKTKAQWLY-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.67
Rot. Bonds4

About 2-acetamido-3,3-diphenylprop-2-enoic acid

2-acetamido-3,3-diphenylprop-2-enoic acid (PubChem CID 134870656) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-acetamido-3,3-diphenylprop-2-enoic acid.

Molecular Properties

Compound Name2-acetamido-3,3-diphenylprop-2-enoic acid
PubChem CID134870656
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-acetamido-3,3-diphenylprop-2-enoic acid
SMILESCC(=O)NC(C(=O)O)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO3/c1-12(19)18-16(17(20)21)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKeyWQBLRGKTKAQWLY-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid
CID 14280418
(E)-2-(methoxycarbonylamino)-3-phenyl-3-pyridin-3-ylprop-2-enoic acid
CID 118356453
2-acetamido-3-(4-bromophenyl)but-2-enoic acid
CID 54258491
1-[4-[(E)-2-(4-acetylphenyl)-1,2-diphenylethenyl]phenyl]ethanone
CID 10669604
S-(2-acetamido-2-oxoethyl) benzenecarbothioate
CID 12837857
methane;molecular hydrogen;N-(1-phenylethenyl)acetamide
CID 159750182
CID 67882804
CID 67882804
N-[(E)-1,2-diphenylethenyl]acetamide
CID 42628257
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
[(Z)-[acetamido(phenyl)methylidene]amino]-trimethylazanium
CID 13104094
[(Z)-[acetamido(phenyl)methylidene]amino] benzoate
CID 135525655
iron;1-phenylethanone
CID 70488357

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3,3-diphenylprop-2-enoic acid?
The IUPAC name of 2-acetamido-3,3-diphenylprop-2-enoic acid (CID 134870656) is 2-acetamido-3,3-diphenylprop-2-enoic acid.
What is the SMILES notation for 2-acetamido-3,3-diphenylprop-2-enoic acid?
The canonical SMILES for 2-acetamido-3,3-diphenylprop-2-enoic acid is CC(=O)NC(C(=O)O)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-acetamido-3,3-diphenylprop-2-enoic acid?
The InChIKey is WQBLRGKTKAQWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-12(19)18-16(17(20)21)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-acetamido-3,3-diphenylprop-2-enoic acid?
2-acetamido-3,3-diphenylprop-2-enoic acid has a molecular weight of 281.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3,3-diphenylprop-2-enoic acid is sourced from PubChem (CID 134870656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).