3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide

C19H19NO3 — CID 102477862

IUPAC3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide
SMILESO=C(Nc1ccccc1)C(C(=O)c1ccccc1)C1CCCO1
InChIInChI=1S/C19H19NO3/c21-18(14-8-3-1-4-9-14)17(16-12-7-13-23-16)19(22)20-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H,20,22)
InChIKeyKCLGPUZDYOIRCJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.30
Rot. Bonds5

About 3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide

3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide (PubChem CID 102477862) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide.

Molecular Properties

Compound Name3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide
PubChem CID102477862
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide
SMILESO=C(Nc1ccccc1)C(C(=O)c1ccccc1)C1CCCO1
InChIInChI=1S/C19H19NO3/c21-18(14-8-3-1-4-9-14)17(16-12-7-13-23-16)19(22)20-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H,20,22)
InChIKeyKCLGPUZDYOIRCJ-UHFFFAOYSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-anilino-4-oxo-3-[(2S)-oxolan-2-yl]butanoic acid
CID 744803
2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]amino]-N-phenylacetamide
CID 93103707
N-phenyloxolane-2-carboxamide
CID 3453643
2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone
CID 102125828
3-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61193817
(2S)-4-(4-fluoroanilino)-4-oxo-2-[(2R)-oxolan-2-yl]butanoic acid
CID 7283075
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide
CID 95767130
N-[4-[(2-amino-2-phenylacetyl)amino]phenyl]oxolane-2-carboxamide
CID 119282778
2-methyl-N,4,4-triphenylbut-3-enamide
CID 134919204
2-(2-benzoylpyrrolidin-1-yl)-2-hydroxy-N-phenylacetamide
CID 139619452
molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
CID 143703074

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide?
The IUPAC name of 3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide (CID 102477862) is 3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide.
What is the SMILES notation for 3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide?
The canonical SMILES for 3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide is O=C(Nc1ccccc1)C(C(=O)c1ccccc1)C1CCCO1.
What is the InChIKey of 3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide?
The InChIKey is KCLGPUZDYOIRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-18(14-8-3-1-4-9-14)17(16-12-7-13-23-16)19(22)20-15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2,(H,20,22).
What are the key properties of 3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide?
3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide has a molecular weight of 309.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-(oxolan-2-yl)-N,3-diphenylpropanamide is sourced from PubChem (CID 102477862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).