2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide

C24H49NO3 — CID 10194284

IUPAC2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide
SMILESCCCCCCCCCCC(O)CN(CCO)C(=O)C(CCCC)CCCC
InChIInChI=1S/C24H49NO3/c1-4-7-10-11-12-13-14-15-18-23(27)21-25(19-20-26)24(28)22(16-8-5-2)17-9-6-3/h22-23,26-27H,4-21H2,1-3H3
InChIKeyNHQLMDBWTPRUDU-UHFFFAOYSA-N
MW399.66 g/mol
LogP5.70
Rot. Bonds20

About 2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide

2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide (PubChem CID 10194284) has the molecular formula C24H49NO3 and a molecular weight of 399.66 g/mol. Its IUPAC name is 2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide.

Molecular Properties

Compound Name2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide
PubChem CID10194284
Molecular FormulaC24H49NO3
Molecular Weight399.66 g/mol
Exact Mass399.37
IUPAC Name2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide
SMILESCCCCCCCCCCC(O)CN(CCO)C(=O)C(CCCC)CCCC
InChIInChI=1S/C24H49NO3/c1-4-7-10-11-12-13-14-15-18-23(27)21-25(19-20-26)24(28)22(16-8-5-2)17-9-6-3/h22-23,26-27H,4-21H2,1-3H3
InChIKeyNHQLMDBWTPRUDU-UHFFFAOYSA-N
XLogP5.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 55.70
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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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide?
The IUPAC name of 2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide (CID 10194284) is 2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide.
What is the SMILES notation for 2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide?
The canonical SMILES for 2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide is CCCCCCCCCCC(O)CN(CCO)C(=O)C(CCCC)CCCC.
What is the InChIKey of 2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide?
The InChIKey is NHQLMDBWTPRUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO3/c1-4-7-10-11-12-13-14-15-18-23(27)21-25(19-20-26)24(28)22(16-8-5-2)17-9-6-3/h22-23,26-27H,4-21H2,1-3H3.
What are the key properties of 2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide?
2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide has a molecular weight of 399.66 g/mol, XLogP of 5.70, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)hexanamide is sourced from PubChem (CID 10194284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).