3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide

C14H15NO4 — CID 11499897

IUPAC3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide
SMILESO=C(CC(=O)N[C@@H]1CCOC1=O)Cc1ccccc1
InChIInChI=1S/C14H15NO4/c16-11(8-10-4-2-1-3-5-10)9-13(17)15-12-6-7-19-14(12)18/h1-5,12H,6-9H2,(H,15,17)/t12-/m1/s1
InChIKeySZKJWOMSLREKNK-GFCCVEGCSA-N
MW261.28 g/mol
LogP0.62
Rot. Bonds5

About 3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide

3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide (PubChem CID 11499897) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound Name3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide
PubChem CID11499897
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide
SMILESO=C(CC(=O)N[C@@H]1CCOC1=O)Cc1ccccc1
InChIInChI=1S/C14H15NO4/c16-11(8-10-4-2-1-3-5-10)9-13(17)15-12-6-7-19-14(12)18/h1-5,12H,6-9H2,(H,15,17)/t12-/m1/s1
InChIKeySZKJWOMSLREKNK-GFCCVEGCSA-N
XLogP0.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide
CID 25258810
2-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide
CID 58413548
2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 25014867
methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide
CID 159463313
N-(2-oxooxolan-3-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 2998651
1-benzyl-3-[(3S)-2-oxooxolan-3-yl]thiourea
CID 7638193
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
12-bromo-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
CID 11014269
(2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid
CID 18635454
2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide
CID 174054263
[11,13-dioxo-13-[(2-oxooxolan-3-yl)amino]tridecyl]carbamic acid
CID 123693906
tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide?
The IUPAC name of 3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide (CID 11499897) is 3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide.
What is the SMILES notation for 3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide?
The canonical SMILES for 3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide is O=C(CC(=O)N[C@@H]1CCOC1=O)Cc1ccccc1.
What is the InChIKey of 3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide?
The InChIKey is SZKJWOMSLREKNK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15NO4/c16-11(8-10-4-2-1-3-5-10)9-13(17)15-12-6-7-19-14(12)18/h1-5,12H,6-9H2,(H,15,17)/t12-/m1/s1.
What are the key properties of 3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide?
3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide has a molecular weight of 261.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 11499897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).