(2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide

C18H19NO3 — CID 87277751

IUPAC(2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide
SMILESO=C([C@@H]1OC1c1ccccc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H19NO3/c20-12-11-19(13-14-7-3-1-4-8-14)18(21)17-16(22-17)15-9-5-2-6-10-15/h1-10,16-17,20H,11-13H2/t16?,17-/m1/s1
InChIKeyKCTVZRLNXYUJMF-ZYMOGRSISA-N
MW297.35 g/mol
LogP2.15
Rot. Bonds6

About (2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide

(2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide (PubChem CID 87277751) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide
PubChem CID87277751
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide
SMILESO=C([C@@H]1OC1c1ccccc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H19NO3/c20-12-11-19(13-14-7-3-1-4-8-14)18(21)17-16(22-17)15-9-5-2-6-10-15/h1-10,16-17,20H,11-13H2/t16?,17-/m1/s1
InChIKeyKCTVZRLNXYUJMF-ZYMOGRSISA-N
XLogP2.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)oxirane-2-carboxamide
CID 86663862
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600654
N,N,3-tribenzyloxirane-2-carboxamide
CID 134872311
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 111477096
(2S)-2-(dibenzylamino)-1-[(2S,3R)-3-phenyloxiran-2-yl]propan-1-one
CID 10595423
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea
CID 110896623
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
CID 110878165

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide (CID 87277751) is (2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide is O=C([C@@H]1OC1c1ccccc1)N(CCO)Cc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide?
The InChIKey is KCTVZRLNXYUJMF-ZYMOGRSISA-N. The full InChI is InChI=1S/C18H19NO3/c20-12-11-19(13-14-7-3-1-4-8-14)18(21)17-16(22-17)15-9-5-2-6-10-15/h1-10,16-17,20H,11-13H2/t16?,17-/m1/s1.
What are the key properties of (2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide?
(2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide is sourced from PubChem (CID 87277751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).