N-benzhydryl-N-methyloxirane-2-carboxamide

C17H17NO2 — CID 154879943

IUPACN-benzhydryl-N-methyloxirane-2-carboxamide
SMILESCN(C(=O)C1CO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-18(17(19)15-12-20-15)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3
InChIKeyBGMJMFAYNVEABP-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.63
Rot. Bonds4

About N-benzhydryl-N-methyloxirane-2-carboxamide

N-benzhydryl-N-methyloxirane-2-carboxamide (PubChem CID 154879943) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-benzhydryl-N-methyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-N-methyloxirane-2-carboxamide
PubChem CID154879943
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-benzhydryl-N-methyloxirane-2-carboxamide
SMILESCN(C(=O)C1CO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-18(17(19)15-12-20-15)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3
InChIKeyBGMJMFAYNVEABP-UHFFFAOYSA-N
XLogP2.63
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.63
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-benzhydryl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4212192
(2S)-N-methyl-N-[(1R)-2-methyl-1-phenylpropyl]-1,4-dioxane-2-carboxamide
CID 96531726
(2S)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]-1,4-dioxane-2-carboxamide
CID 96531725
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51232488
N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide
CID 82118036
N-benzhydryl-N-methylfuran-2-carboxamide
CID 2510238
(1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 98785707
N-[(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 71899779
N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide
CID 51188217
oxiran-2-yl(phenyl)methanone
CID 11788375
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]propanoic acid
CID 55098742
(2R,3R,4S,5S)-2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]oxane-3,4,5-triol
CID 124771034

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-methyloxirane-2-carboxamide?
The IUPAC name of N-benzhydryl-N-methyloxirane-2-carboxamide (CID 154879943) is N-benzhydryl-N-methyloxirane-2-carboxamide.
What is the SMILES notation for N-benzhydryl-N-methyloxirane-2-carboxamide?
The canonical SMILES for N-benzhydryl-N-methyloxirane-2-carboxamide is CN(C(=O)C1CO1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-methyloxirane-2-carboxamide?
The InChIKey is BGMJMFAYNVEABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-18(17(19)15-12-20-15)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3.
What are the key properties of N-benzhydryl-N-methyloxirane-2-carboxamide?
N-benzhydryl-N-methyloxirane-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-methyloxirane-2-carboxamide is sourced from PubChem (CID 154879943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).