2-ethyl-N-(oxolan-2-ylmethyl)hexanamide

C13H25NO2 — CID 4553537

IUPAC2-ethyl-N-(oxolan-2-ylmethyl)hexanamide
SMILESCCCCC(CC)C(=O)NCC1CCCO1
InChIInChI=1S/C13H25NO2/c1-3-5-7-11(4-2)13(15)14-10-12-8-6-9-16-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyPVEUPUAPZWVDHP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds7

About 2-ethyl-N-(oxolan-2-ylmethyl)hexanamide

2-ethyl-N-(oxolan-2-ylmethyl)hexanamide (PubChem CID 4553537) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-ethyl-N-(oxolan-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(oxolan-2-ylmethyl)hexanamide
PubChem CID4553537
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-ethyl-N-(oxolan-2-ylmethyl)hexanamide
SMILESCCCCC(CC)C(=O)NCC1CCCO1
InChIInChI=1S/C13H25NO2/c1-3-5-7-11(4-2)13(15)14-10-12-8-6-9-16-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyPVEUPUAPZWVDHP-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(oxolan-2-ylmethyl)hexanamide?
The IUPAC name of 2-ethyl-N-(oxolan-2-ylmethyl)hexanamide (CID 4553537) is 2-ethyl-N-(oxolan-2-ylmethyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(oxolan-2-ylmethyl)hexanamide?
The canonical SMILES for 2-ethyl-N-(oxolan-2-ylmethyl)hexanamide is CCCCC(CC)C(=O)NCC1CCCO1.
What is the InChIKey of 2-ethyl-N-(oxolan-2-ylmethyl)hexanamide?
The InChIKey is PVEUPUAPZWVDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-7-11(4-2)13(15)14-10-12-8-6-9-16-12/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-N-(oxolan-2-ylmethyl)hexanamide?
2-ethyl-N-(oxolan-2-ylmethyl)hexanamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(oxolan-2-ylmethyl)hexanamide is sourced from PubChem (CID 4553537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).