2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide

C13H25NO3 — CID 114104231

IUPAC2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NCC(O)(CC)CC
InChIInChI=1S/C13H25NO3/c1-4-11-10(7-8-17-11)12(15)14-9-13(16,5-2)6-3/h10-11,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyKJRUPYLKHZNUAF-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.47
Rot. Bonds6

About 2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide

2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide (PubChem CID 114104231) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide
PubChem CID114104231
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NCC(O)(CC)CC
InChIInChI=1S/C13H25NO3/c1-4-11-10(7-8-17-11)12(15)14-9-13(16,5-2)6-3/h10-11,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyKJRUPYLKHZNUAF-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide
CID 114164082
N-(4-bromo-2,2-dimethylbutyl)-2-ethyloxolane-3-carboxamide
CID 106143568
2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide
CID 114104255
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 114105199
2-ethyl-N-(1H-pyrrol-3-ylmethyl)oxolane-3-carboxamide
CID 106386035
N-(3-bromo-4-methoxybutyl)-2-ethyloxolane-3-carboxamide
CID 106244922
N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide
CID 81002733
N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide
CID 114105082
N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide
CID 106367342
2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide
CID 106228527

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide?
The IUPAC name of 2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide (CID 114104231) is 2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide is CCC1OCCC1C(=O)NCC(O)(CC)CC.
What is the InChIKey of 2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide?
The InChIKey is KJRUPYLKHZNUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-11-10(7-8-17-11)12(15)14-9-13(16,5-2)6-3/h10-11,16H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide?
2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide is sourced from PubChem (CID 114104231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).