N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide

C15H21NO2 — CID 85424074

IUPACN,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide
SMILESCCN(CC)C(=O)C1(C)OC1(C)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-5-16(6-2)13(17)15(4)14(3,18-15)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3
InChIKeyVEEADCQTUAIMBR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.56
Rot. Bonds4

About N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide

N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide (PubChem CID 85424074) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide
PubChem CID85424074
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide
SMILESCCN(CC)C(=O)C1(C)OC1(C)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-5-16(6-2)13(17)15(4)14(3,18-15)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3
InChIKeyVEEADCQTUAIMBR-UHFFFAOYSA-N
XLogP2.56
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-2,3-dimethyl-3-phenyloxirane-2-carboxylic acid
CID 163625725
cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide
CID 58535208
N,N-diethyl-4-phenylpiperidine-4-carboxamide
CID 22361711
(2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide
CID 11277366
[(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol
CID 101403804
(2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 58550489
methyl 2-ethyl-3-methyl-3-phenyloxirane-2-carboxylate
CID 14984831
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
1-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 123953058
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride
CID 45114208
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;dihydrochloride
CID 73416954
cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride
CID 154730551

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide?
The IUPAC name of N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide (CID 85424074) is N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide.
What is the SMILES notation for N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide?
The canonical SMILES for N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide is CCN(CC)C(=O)C1(C)OC1(C)c1ccccc1.
What is the InChIKey of N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide?
The InChIKey is VEEADCQTUAIMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-16(6-2)13(17)15(4)14(3,18-15)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide?
N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide is sourced from PubChem (CID 85424074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).