(2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide

C17H17NO2 — CID 162891560

IUPAC(2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(18-12-11-13-7-3-1-4-8-13)16-15(20-16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,19)/t15-,16+/m1/s1
InChIKeyGVOVFDWYHSVOSO-CVEARBPZSA-N
MW267.33 g/mol
LogP2.49
Rot. Bonds5

About (2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide

(2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide (PubChem CID 162891560) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide
PubChem CID162891560
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide
SMILESO=C(NCCc1ccccc1)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-17(18-12-11-13-7-3-1-4-8-13)16-15(20-16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,19)/t15-,16+/m1/s1
InChIKeyGVOVFDWYHSVOSO-CVEARBPZSA-N
XLogP2.49
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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2-Fluorobenzyl 2-[(2-phenylacetyl)amino]acetate
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N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
CID 2870138
[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481
[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] benzoate
CID 3947743
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
N-cyclooctyl-2-methoxy-2-phenylacetamide
CID 2921709
2,3-Diphenyloxirane-2-carboxamide
CID 3434340
N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
CID 2969719
Secodemethylclausenamide
CID 70378439

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide?
The IUPAC name of (2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide (CID 162891560) is (2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide?
The canonical SMILES for (2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide is O=C(NCCc1ccccc1)[C@H]1O[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide?
The InChIKey is GVOVFDWYHSVOSO-CVEARBPZSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(18-12-11-13-7-3-1-4-8-13)16-15(20-16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,18,19)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide?
(2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide is sourced from PubChem (CID 162891560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).