2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide

C12H25NO3 — CID 3125302

IUPAC2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide
SMILESCCCCC(CCC(C)O)C(=O)NCCO
InChIInChI=1S/C12H25NO3/c1-3-4-5-11(7-6-10(2)15)12(16)13-8-9-14/h10-11,14-15H,3-9H2,1-2H3,(H,13,16)
InChIKeySYMHNBYKGBAQQU-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.06
Rot. Bonds9

About 2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide

2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide (PubChem CID 3125302) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide.

Molecular Properties

Compound Name2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide
PubChem CID3125302
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide
SMILESCCCCC(CCC(C)O)C(=O)NCCO
InChIInChI=1S/C12H25NO3/c1-3-4-5-11(7-6-10(2)15)12(16)13-8-9-14/h10-11,14-15H,3-9H2,1-2H3,(H,13,16)
InChIKeySYMHNBYKGBAQQU-UHFFFAOYSA-N
XLogP1.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide?
The IUPAC name of 2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide (CID 3125302) is 2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide.
What is the SMILES notation for 2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide?
The canonical SMILES for 2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide is CCCCC(CCC(C)O)C(=O)NCCO.
What is the InChIKey of 2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide?
The InChIKey is SYMHNBYKGBAQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-4-5-11(7-6-10(2)15)12(16)13-8-9-14/h10-11,14-15H,3-9H2,1-2H3,(H,13,16).
What are the key properties of 2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide?
2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide has a molecular weight of 231.34 g/mol, XLogP of 1.06, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-hydroxy-N-(2-hydroxyethyl)hexanamide is sourced from PubChem (CID 3125302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).