(2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide

C17H15NO2 — CID 135914517

IUPAC(2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide
SMILESO=C(N/C=C\c1ccccc1)[C@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C17H15NO2/c19-17(18-12-11-13-7-3-1-4-8-13)16-15(20-16)14-9-5-2-6-10-14/h1-12,15-16H,(H,18,19)/b12-11-/t15-,16-/m0/s1
InChIKeyFXXAQFAYRCXZDE-KNBCMTEUSA-N
MW265.31 g/mol
LogP2.91
Rot. Bonds4

About (2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide

(2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide (PubChem CID 135914517) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide
PubChem CID135914517
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide
SMILESO=C(N/C=C\c1ccccc1)[C@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C17H15NO2/c19-17(18-12-11-13-7-3-1-4-8-13)16-15(20-16)14-9-5-2-6-10-14/h1-12,15-16H,(H,18,19)/b12-11-/t15-,16-/m0/s1
InChIKeyFXXAQFAYRCXZDE-KNBCMTEUSA-N
XLogP2.91
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.91
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

(2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide
CID 102274407
(2S,3S)-3-phenyloxirane-2-carboxylic acid
CID 906621
CID 131880928
CID 131880928
2-phenylethenylcarbamic acid
CID 151881054
potassium 3-phenyloxirane-2-carboxylic acid
CID 54603648
N-ethyl-3-phenyloxirane-2-carboxamide
CID 130023918
N-(2-phenylethenyl)acetamide
CID 54032077
(2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide
CID 45086957
2-(2-phenylethenylamino)prop-2-enoic acid
CID 57353567
(2R,3S)-3-phenyloxirane-2-carboxamide
CID 10931765
(2S,3S)-3-phenyloxirane-2-carbonyl chloride
CID 45081515
N-(2-phenylethenylcarbamoyl)formamide
CID 174605369

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide?
The IUPAC name of (2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide (CID 135914517) is (2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide?
The canonical SMILES for (2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide is O=C(N/C=C\c1ccccc1)[C@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide?
The InChIKey is FXXAQFAYRCXZDE-KNBCMTEUSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(18-12-11-13-7-3-1-4-8-13)16-15(20-16)14-9-5-2-6-10-14/h1-12,15-16H,(H,18,19)/b12-11-/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide?
(2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide is sourced from PubChem (CID 135914517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).