6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide

C14H28N2O3 — CID 103772963

IUPAC6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)NCC(C)(C)CCO
InChIInChI=1S/C14H28N2O3/c1-12(18)15-9-6-4-5-7-13(19)16-11-14(2,3)8-10-17/h17H,4-11H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyTUIRCZVHSJOPTF-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.21
Rot. Bonds10

About 6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide

6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide (PubChem CID 103772963) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide
PubChem CID103772963
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)NCC(C)(C)CCO
InChIInChI=1S/C14H28N2O3/c1-12(18)15-9-6-4-5-7-13(19)16-11-14(2,3)8-10-17/h17H,4-11H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyTUIRCZVHSJOPTF-UHFFFAOYSA-N
XLogP1.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
3-(6-acetamidohexanoylamino)-2,2-dimethylpropanoic acid
CID 81369341
3-(6-acetamidohexanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66172183
3-chloro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106145976
N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide
CID 154969198
8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide
CID 91426047
6-acetamido-N-propylhexanamide
CID 60654879
6-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
5-acetamido-N-ethylpentanamide
CID 145189248
N-(2-acetamidoethyl)-5-hydroxypentanamide
CID 79199978
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide?
The IUPAC name of 6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide (CID 103772963) is 6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide.
What is the SMILES notation for 6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide?
The canonical SMILES for 6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide is CC(=O)NCCCCCC(=O)NCC(C)(C)CCO.
What is the InChIKey of 6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide?
The InChIKey is TUIRCZVHSJOPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-12(18)15-9-6-4-5-7-13(19)16-11-14(2,3)8-10-17/h17H,4-11H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide?
6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide has a molecular weight of 272.39 g/mol, XLogP of 1.21, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide is sourced from PubChem (CID 103772963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).