(2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide

C18H17NO3 — CID 10979333

IUPAC(2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide
SMILESCN(CC(=O)c1ccccc1)C(=O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-19(12-15(20)13-8-4-2-5-9-13)18(21)17-16(22-17)14-10-6-3-7-11-14/h2-11,16-17H,12H2,1H3/t16-,17+/m0/s1
InChIKeyIISSQGMEMPTSPO-DLBZAZTESA-N
MW295.34 g/mol
LogP2.47
Rot. Bonds5

About (2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide

(2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide (PubChem CID 10979333) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide
PubChem CID10979333
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide
SMILESCN(CC(=O)c1ccccc1)C(=O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-19(12-15(20)13-8-4-2-5-9-13)18(21)17-16(22-17)14-10-6-3-7-11-14/h2-11,16-17H,12H2,1H3/t16-,17+/m0/s1
InChIKeyIISSQGMEMPTSPO-DLBZAZTESA-N
XLogP2.47
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Elucaine
CID 32331
[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] benzoate
CID 3947743
4-Methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162674852
N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide
CID 131753145
[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl] benzoate
CID 4287440
Benzoic acid dibutylcarbamoylmethyl ester
CID 14033053
2-(Dimethylamino)-1-phenylethyl benzoate
CID 32873
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
Ammonium, diethyl(beta-hydroxyphenethyl)methyl-, iodide, benzoate (ester)
CID 24833122
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] benzoate
CID 14033056
benzyl (2S)-2-[[(2R,3R)-3-methyloxirane-2-carbonyl]amino]-3-phenylpropanoate
CID 44405717
benzyl (2R)-2-[[(2R,3R)-3-methyloxirane-2-carbonyl]amino]-3-phenylpropanoate
CID 44405718

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide (CID 10979333) is (2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide is CN(CC(=O)c1ccccc1)C(=O)[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide?
The InChIKey is IISSQGMEMPTSPO-DLBZAZTESA-N. The full InChI is InChI=1S/C18H17NO3/c1-19(12-15(20)13-8-4-2-5-9-13)18(21)17-16(22-17)14-10-6-3-7-11-14/h2-11,16-17H,12H2,1H3/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide?
(2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide is sourced from PubChem (CID 10979333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).