(2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide

C18H17NO2 — CID 102274407

IUPAC(2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide
SMILESCc1cccc(/C=C\NC(=O)[C@H]2O[C@@H]2c2ccccc2)c1
InChIInChI=1S/C18H17NO2/c1-13-6-5-7-14(12-13)10-11-19-18(20)17-16(21-17)15-8-3-2-4-9-15/h2-12,16-17H,1H3,(H,19,20)/b11-10-/t16-,17+/m1/s1
InChIKeyWTYIFFFGBUSJMO-LXHGKFCDSA-N
MW279.34 g/mol
LogP3.22
Rot. Bonds4

About (2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide

(2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide (PubChem CID 102274407) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide
PubChem CID102274407
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide
SMILESCc1cccc(/C=C\NC(=O)[C@H]2O[C@@H]2c2ccccc2)c1
InChIInChI=1S/C18H17NO2/c1-13-6-5-7-14(12-13)10-11-19-18(20)17-16(21-17)15-8-3-2-4-9-15/h2-12,16-17H,1H3,(H,19,20)/b11-10-/t16-,17+/m1/s1
InChIKeyWTYIFFFGBUSJMO-LXHGKFCDSA-N
XLogP3.22
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.22
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,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide
CID 135914517
3-(3-methylphenyl)oxirane-2-carboxylic acid
CID 53256654
2-hydroxy-N-[2-(3-methylphenyl)ethenyl]-2,2-diphenylacetamide
CID 23741618
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea
CID 108905502
(2S,3S)-3-phenyloxirane-2-carboxylic acid
CID 906621
1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905638
1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905451
N-[(E)-2-(3-methylphenyl)ethenyl]azepane-1-carboxamide
CID 108905455
N-(2-phenylethenyl)acetamide
CID 54032077
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
1-butan-2-yl-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905352

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide?
The IUPAC name of (2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide (CID 102274407) is (2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide is Cc1cccc(/C=C\NC(=O)[C@H]2O[C@@H]2c2ccccc2)c1.
What is the InChIKey of (2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide?
The InChIKey is WTYIFFFGBUSJMO-LXHGKFCDSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-6-5-7-14(12-13)10-11-19-18(20)17-16(21-17)15-8-3-2-4-9-15/h2-12,16-17H,1H3,(H,19,20)/b11-10-/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide?
(2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(Z)-2-(3-methylphenyl)ethenyl]-3-phenyloxirane-2-carboxamide is sourced from PubChem (CID 102274407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).