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

C18H17NO2 — CID 6442212

IUPAC(2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide
SMILESCN(/C=C\c1ccccc1)C(=O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-19(13-12-14-8-4-2-5-9-14)18(20)17-16(21-17)15-10-6-3-7-11-15/h2-13,16-17H,1H3/b13-12-/t16-,17+/m0/s1
InChIKeySZEAIHVOVOPANP-AVOHIMRFSA-N
MW279.34 g/mol
LogP3.26
Rot. Bonds4

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

(2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide (PubChem CID 6442212) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide
PubChem CID6442212
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide
SMILESCN(/C=C\c1ccccc1)C(=O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-19(13-12-14-8-4-2-5-9-14)18(20)17-16(21-17)15-10-6-3-7-11-15/h2-13,16-17H,1H3/b13-12-/t16-,17+/m0/s1
InChIKeySZEAIHVOVOPANP-AVOHIMRFSA-N
XLogP3.26
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide?
The IUPAC name of (2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide (CID 6442212) is (2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide is CN(/C=C\c1ccccc1)C(=O)[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide?
The InChIKey is SZEAIHVOVOPANP-AVOHIMRFSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19(13-12-14-8-4-2-5-9-14)18(20)17-16(21-17)15-10-6-3-7-11-15/h2-13,16-17H,1H3/b13-12-/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide?
(2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-methyl-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide is sourced from PubChem (CID 6442212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).