N-(3,3-diphenylprop-2-enyl)-3-oxobutanamide

C19H19NO2 — CID 135072261

IUPACN-(3,3-diphenylprop-2-enyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-15(21)14-19(22)20-13-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H,20,22)
InChIKeyNKIPAKZWTGGIRI-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.21
Rot. Bonds6

About N-(3,3-diphenylprop-2-enyl)-3-oxobutanamide

N-(3,3-diphenylprop-2-enyl)-3-oxobutanamide (PubChem CID 135072261) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3,3-diphenylprop-2-enyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(3,3-diphenylprop-2-enyl)-3-oxobutanamide
PubChem CID135072261
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC NameN-(3,3-diphenylprop-2-enyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-15(21)14-19(22)20-13-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H,20,22)
InChIKeyNKIPAKZWTGGIRI-UHFFFAOYSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylprop-2-enyl)-3-oxobutanamide?
The IUPAC name of N-(3,3-diphenylprop-2-enyl)-3-oxobutanamide (CID 135072261) is N-(3,3-diphenylprop-2-enyl)-3-oxobutanamide.
What is the SMILES notation for N-(3,3-diphenylprop-2-enyl)-3-oxobutanamide?
The canonical SMILES for N-(3,3-diphenylprop-2-enyl)-3-oxobutanamide is CC(=O)CC(=O)NCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylprop-2-enyl)-3-oxobutanamide?
The InChIKey is NKIPAKZWTGGIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-15(21)14-19(22)20-13-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H,20,22).
What are the key properties of N-(3,3-diphenylprop-2-enyl)-3-oxobutanamide?
N-(3,3-diphenylprop-2-enyl)-3-oxobutanamide has a molecular weight of 293.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylprop-2-enyl)-3-oxobutanamide is sourced from PubChem (CID 135072261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).