(3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide

C18H17NO4 — CID 826005

IUPAC(3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)c1
InChIInChI=1S/C18H17NO4/c1-22-14-9-5-8-13(10-14)19-17(20)15-11-16(23-18(15)21)12-6-3-2-4-7-12/h2-10,15-16H,11H2,1H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyYFBNHCLSKKNWGJ-HZPDHXFCSA-N
MW311.34 g/mol
LogP2.94
Rot. Bonds4

About (3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide

(3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide (PubChem CID 826005) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide
PubChem CID826005
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)c1
InChIInChI=1S/C18H17NO4/c1-22-14-9-5-8-13(10-14)19-17(20)15-11-16(23-18(15)21)12-6-3-2-4-7-12/h2-10,15-16H,11H2,1H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyYFBNHCLSKKNWGJ-HZPDHXFCSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.94
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

(1S,2R,3S,4R)-2-N,3-N-bis(3-methoxyphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 6967054
6-[(3-methoxyphenyl)carbamoyl]-2,5-diphenylcyclohex-3-ene-1-carboxylic acid
CID 3104487
2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide
CID 2832306
(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 780566
(1S,2R,3S,4S)-3-[(3-methoxyphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51021594
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143314
3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42865487
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261026
(1R,2S,3S,6S,7R,9S)-2-bromo-N-(3-methoxyphenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 124832705
(1R,2R,4R,5R)-N-(3-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98160421
(1R,2S,3S,4R)-3-[(3-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23306820
N-(3-methoxyphenyl)-5-phenylsulfanyl-2,3-dihydrofuran-2-carboxamide
CID 163833903

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide?
The IUPAC name of (3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide (CID 826005) is (3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide.
What is the SMILES notation for (3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide?
The canonical SMILES for (3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide is COc1cccc(NC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)c1.
What is the InChIKey of (3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide?
The InChIKey is YFBNHCLSKKNWGJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H17NO4/c1-22-14-9-5-8-13(10-14)19-17(20)15-11-16(23-18(15)21)12-6-3-2-4-7-12/h2-10,15-16H,11H2,1H3,(H,19,20)/t15-,16-/m1/s1.
What are the key properties of (3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide?
(3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-(3-methoxyphenyl)-2-oxo-5-phenyloxolane-3-carboxamide is sourced from PubChem (CID 826005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).