(2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide

C17H25NO2 — CID 11277366

IUPAC(2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide
SMILESCCCC[C@@H]1O[C@]1(C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-4-7-13-15-17(20-15,14-11-9-8-10-12-14)16(19)18(5-2)6-3/h8-12,15H,4-7,13H2,1-3H3/t15-,17+/m0/s1
InChIKeyABTFSNXRRCMHFG-DOTOQJQBSA-N
MW275.39 g/mol
LogP3.34
Rot. Bonds7

About (2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide

(2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide (PubChem CID 11277366) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide
PubChem CID11277366
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide
SMILESCCCC[C@@H]1O[C@]1(C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-4-7-13-15-17(20-15,14-11-9-8-10-12-14)16(19)18(5-2)6-3/h8-12,15H,4-7,13H2,1-3H3/t15-,17+/m0/s1
InChIKeyABTFSNXRRCMHFG-DOTOQJQBSA-N
XLogP3.34
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.34
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,N-diethyl-2,3-dimethyl-3-phenyloxirane-2-carboxamide
CID 85424074
cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide
CID 58535208
(2R,3S)-N,N,3-triethyl-3-phenyloxirane-2-carboxamide
CID 101356265
(2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 58550489
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-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride
CID 45114208
N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113469199
cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride
CID 154730551
cis-(1R,2S)-N,N-diethyl-2-[(1S)-1-hydroxypropyl]-1-phenylcyclopropane-1-carboxamide
CID 10564350
N,N-diethyl-4-phenylpiperidine-4-carboxamide
CID 22361711
cis-(1S,2S)-N,N-diethyl-2-[(3R)-hexan-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 125471059
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;hydron;chloride
CID 67108486

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide (CID 11277366) is (2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide is CCCC[C@@H]1O[C@]1(C(=O)N(CC)CC)c1ccccc1.
What is the InChIKey of (2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide?
The InChIKey is ABTFSNXRRCMHFG-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-7-13-15-17(20-15,14-11-9-8-10-12-14)16(19)18(5-2)6-3/h8-12,15H,4-7,13H2,1-3H3/t15-,17+/m0/s1.
What are the key properties of (2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide?
(2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-butyl-N,N-diethyl-2-phenyloxirane-2-carboxamide is sourced from PubChem (CID 11277366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).