(3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide

C18H19NO2 — CID 71653947

IUPAC(3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide
SMILESCNC(=O)C[C@H](c1ccccc1)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-19-16(20)12-15(13-8-4-2-5-9-13)18-17(21-18)14-10-6-3-7-11-14/h2-11,15,17-18H,12H2,1H3,(H,19,20)/t15-,17+,18+/m1/s1
InChIKeyKNKANCDAHLOKJA-NJAFHUGGSA-N
MW281.36 g/mol
LogP3.05
Rot. Bonds5

About (3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide

(3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide (PubChem CID 71653947) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide.

Molecular Properties

Compound Name(3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide
PubChem CID71653947
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide
SMILESCNC(=O)C[C@H](c1ccccc1)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-19-16(20)12-15(13-8-4-2-5-9-13)18-17(21-18)14-10-6-3-7-11-14/h2-11,15,17-18H,12H2,1H3,(H,19,20)/t15-,17+,18+/m1/s1
InChIKeyKNKANCDAHLOKJA-NJAFHUGGSA-N
XLogP3.05
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.05
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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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide?
The IUPAC name of (3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide (CID 71653947) is (3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide.
What is the SMILES notation for (3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide?
The canonical SMILES for (3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide is CNC(=O)C[C@H](c1ccccc1)[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide?
The InChIKey is KNKANCDAHLOKJA-NJAFHUGGSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19-16(20)12-15(13-8-4-2-5-9-13)18-17(21-18)14-10-6-3-7-11-14/h2-11,15,17-18H,12H2,1H3,(H,19,20)/t15-,17+,18+/m1/s1.
What are the key properties of (3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide?
(3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide has a molecular weight of 281.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-phenyl-3-[(2S,3S)-3-phenyloxiran-2-yl]propanamide is sourced from PubChem (CID 71653947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).