N,N,3-tribenzyloxirane-2-carboxamide

C24H23NO2 — CID 134872311

IUPACN,N,3-tribenzyloxirane-2-carboxamide
SMILESO=C(C1OC1Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H23NO2/c26-24(23-22(27-23)16-19-10-4-1-5-11-19)25(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2
InChIKeyDHZQIOFRXKENLK-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.23
Rot. Bonds7

About N,N,3-tribenzyloxirane-2-carboxamide

N,N,3-tribenzyloxirane-2-carboxamide (PubChem CID 134872311) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N,N,3-tribenzyloxirane-2-carboxamide.

Molecular Properties

Compound NameN,N,3-tribenzyloxirane-2-carboxamide
PubChem CID134872311
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC NameN,N,3-tribenzyloxirane-2-carboxamide
SMILESO=C(C1OC1Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H23NO2/c26-24(23-22(27-23)16-19-10-4-1-5-11-19)25(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2
InChIKeyDHZQIOFRXKENLK-UHFFFAOYSA-N
XLogP4.23
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.23
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

ethyl 3-benzyloxirane-2-carboxylate
CID 526766
3-(dibenzylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 4162976
(2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide
CID 87277751
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
(1S,2R,3S,4R)-3-(dibenzylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99806225
lithium N,N-dibenzylcarbamoselenoate
CID 102135348
2,4-bis[benzyl-[(4-chlorophenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid
CID 19048208
N-benzyl-3-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)oxirane-2-carboxamide
CID 86663862
benzyl(bromo)carbamic acid
CID 87217964
2-amino-N,N-dibenzylacetamide
CID 11107897
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449

Frequently Asked Questions

What is the IUPAC name of N,N,3-tribenzyloxirane-2-carboxamide?
The IUPAC name of N,N,3-tribenzyloxirane-2-carboxamide (CID 134872311) is N,N,3-tribenzyloxirane-2-carboxamide.
What is the SMILES notation for N,N,3-tribenzyloxirane-2-carboxamide?
The canonical SMILES for N,N,3-tribenzyloxirane-2-carboxamide is O=C(C1OC1Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N,3-tribenzyloxirane-2-carboxamide?
The InChIKey is DHZQIOFRXKENLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c26-24(23-22(27-23)16-19-10-4-1-5-11-19)25(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2.
What are the key properties of N,N,3-tribenzyloxirane-2-carboxamide?
N,N,3-tribenzyloxirane-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-tribenzyloxirane-2-carboxamide is sourced from PubChem (CID 134872311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).