N-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide

C18H15NO4 — CID 15536127

IUPACN-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide
SMILESO=C(NC(=O)C1C(=O)OCC1c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15NO4/c20-16(13-9-5-2-6-10-13)19-17(21)15-14(11-23-18(15)22)12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H,19,20,21)
InChIKeyKMVHEVWQMXTDNW-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.90
Rot. Bonds3

About N-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide

N-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide (PubChem CID 15536127) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide
PubChem CID15536127
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC NameN-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide
SMILESO=C(NC(=O)C1C(=O)OCC1c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15NO4/c20-16(13-9-5-2-6-10-13)19-17(21)15-14(11-23-18(15)22)12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H,19,20,21)
InChIKeyKMVHEVWQMXTDNW-UHFFFAOYSA-N
XLogP1.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-Benzamido-2-oxoethyl) 2-phenylbutanoate
CID 16528422
methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate
CID 134955411
prop-2-enyl (2R)-3-benzamido-2-phenylpropanoate
CID 138977671
N-acetyl-N-benzoyl-5-oxo-4-phenyl-2,5-dihydrofuran-3-carboxamide
CID 155884585
ethyl 1,3-dioxo-4H-isoquinoline-4-carboxylate
CID 21490829
Ethyl 4-oxo-4-[(4-phenylbenzoyl)amino]butanoate
CID 91507255
(3S,4S)-N-benzyl-4-phenyloxolane-3-carboxamide
CID 140160553
Methyl 3-benzamido-2-phenylpropanoate
CID 174438835
Ethyl 3-benzamido-3-phenylbutanoate
CID 174448523
Ethyl 3-oxo-3-[(4-phenylbenzoyl)amino]propanoate
CID 174612575
Methyl 3-benzamido-3,4-dimethyl-2-phenylhex-5-ynoate
CID 175087355
(2-benzamido-2-oxoethyl) (3S)-3-phenylbutanoate
CID 7227801

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide?
The IUPAC name of N-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide (CID 15536127) is N-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide.
What is the SMILES notation for N-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide?
The canonical SMILES for N-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide is O=C(NC(=O)C1C(=O)OCC1c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide?
The InChIKey is KMVHEVWQMXTDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-16(13-9-5-2-6-10-13)19-17(21)15-14(11-23-18(15)22)12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H,19,20,21).
What are the key properties of N-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide?
N-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-2-oxo-4-phenyloxolane-3-carboxamide is sourced from PubChem (CID 15536127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).