2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide

C12H25NO3 — CID 61233601

IUPAC2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CCO)CCO
InChIInChI=1S/C12H25NO3/c1-3-5-6-11(4-2)12(16)13(7-9-14)8-10-15/h11,14-15H,3-10H2,1-2H3
InChIKeyGFESPMJIFMIPOU-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.02
Rot. Bonds9

About 2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide

2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide (PubChem CID 61233601) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide
PubChem CID61233601
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CCO)CCO
InChIInChI=1S/C12H25NO3/c1-3-5-6-11(4-2)12(16)13(7-9-14)8-10-15/h11,14-15H,3-10H2,1-2H3
InChIKeyGFESPMJIFMIPOU-UHFFFAOYSA-N
XLogP1.02
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide?
The IUPAC name of 2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide (CID 61233601) is 2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide.
What is the SMILES notation for 2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide?
The canonical SMILES for 2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide is CCCCC(CC)C(=O)N(CCO)CCO.
What is the InChIKey of 2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide?
The InChIKey is GFESPMJIFMIPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-5-6-11(4-2)12(16)13(7-9-14)8-10-15/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide?
2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide has a molecular weight of 231.34 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-bis(2-hydroxyethyl)hexanamide is sourced from PubChem (CID 61233601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).