2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide

C13H25NO3 — CID 114104255

IUPAC2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NCCCCCCO
InChIInChI=1S/C13H25NO3/c1-2-12-11(7-10-17-12)13(16)14-8-5-3-4-6-9-15/h11-12,15H,2-10H2,1H3,(H,14,16)
InChIKeyRADBNZNYNZOLKT-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.47
Rot. Bonds8

About 2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide

2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide (PubChem CID 114104255) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide
PubChem CID114104255
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NCCCCCCO
InChIInChI=1S/C13H25NO3/c1-2-12-11(7-10-17-12)13(16)14-8-5-3-4-6-9-15/h11-12,15H,2-10H2,1H3,(H,14,16)
InChIKeyRADBNZNYNZOLKT-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide
CID 114104231
N-(6-hydroxyhexyl)-2-methylcyclopropane-1-carboxamide
CID 103919117
N-(3-bromo-4-methoxybutyl)-2-ethyloxolane-3-carboxamide
CID 106244922
N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide
CID 114164082
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
N-(4-bromo-2,2-dimethylbutyl)-2-ethyloxolane-3-carboxamide
CID 106143568
cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114093307
N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide
CID 114105082
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
2-ethyl-N-(1H-pyrrol-3-ylmethyl)oxolane-3-carboxamide
CID 106386035
N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
CID 113351776
2-amino-N-(4-hydroxybutyl)cyclopentane-1-carboxamide
CID 106842187

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide?
The IUPAC name of 2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide (CID 114104255) is 2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide is CCC1OCCC1C(=O)NCCCCCCO.
What is the InChIKey of 2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide?
The InChIKey is RADBNZNYNZOLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-12-11(7-10-17-12)13(16)14-8-5-3-4-6-9-15/h11-12,15H,2-10H2,1H3,(H,14,16).
What are the key properties of 2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide?
2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide is sourced from PubChem (CID 114104255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).