(2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide

C18H17NO2 — CID 135016630

IUPAC(2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide
SMILESC=C(c1ccccc1)N(C)C(=O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-13(14-9-5-3-6-10-14)19(2)18(20)17-16(21-17)15-11-7-4-8-12-15/h3-12,16-17H,1H2,2H3/t16-,17+/m0/s1
InChIKeyCAXDYKXHJJXYIF-DLBZAZTESA-N
MW279.34 g/mol
LogP3.26
Rot. Bonds4

About (2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide

(2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide (PubChem CID 135016630) 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-(1-phenylethenyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide
PubChem CID135016630
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide
SMILESC=C(c1ccccc1)N(C)C(=O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-13(14-9-5-3-6-10-14)19(2)18(20)17-16(21-17)15-11-7-4-8-12-15/h3-12,16-17H,1H2,2H3/t16-,17+/m0/s1
InChIKeyCAXDYKXHJJXYIF-DLBZAZTESA-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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Related Compounds

N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide
CID 131753145
COX inhibitor, 8
CID 11021865
alpha-(Acetyloxy)-N-(phenylmethyl)benzeneacetamide
CID 5158023
(2R,3S)-N-Methyl-3-phenyl-N-[(Z)-2-phenylvinyl]-2-oxiranecarboxamide
CID 6442212
(2S,3R)-N-Methyl-3-phenyl-N-((1Z)-2-phenylethenyl)-2-oxiranecarboxamide
CID 10492939
(2S,3R)-3-phenyl-N-(2-phenylethyl)oxirane-2-carboxamide
CID 162891560
(2S,3R)-N-methyl-3-phenyl-N-(2-phenylethenyl)oxirane-2-carboxamide
CID 162936925
(2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide
CID 10979333
(2S,3R)-N,N-dimethyl-3-phenyloxirane-2-carboxamide
CID 14288126
(4R)-1-[(1S)-1-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
CID 134918156
(4S)-1-Benzyl-4-(benzyloxy)pyrrolidin-2-one
CID 10869717
(3S)-1-Benzyl-3-(benzyloxy)pyrrolidine-2,5-dione
CID 11033761

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide?
The IUPAC name of (2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide (CID 135016630) is (2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide is C=C(c1ccccc1)N(C)C(=O)[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide?
The InChIKey is CAXDYKXHJJXYIF-DLBZAZTESA-N. The full InChI is InChI=1S/C18H17NO2/c1-13(14-9-5-3-6-10-14)19(2)18(20)17-16(21-17)15-11-7-4-8-12-15/h3-12,16-17H,1H2,2H3/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-N-methyl-3-phenyl-N-(1-phenylethenyl)oxirane-2-carboxamide?
(2R,3S)-N-methyl-3-phenyl-N-(1-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-(1-phenylethenyl)oxirane-2-carboxamide is sourced from PubChem (CID 135016630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).