5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide

C14H29NO2 — CID 176680501

IUPAC5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide
SMILESCC(C)(C)CC(C)(C)CNC(=O)CCCCO
InChIInChI=1S/C14H29NO2/c1-13(2,3)10-14(4,5)11-15-12(17)8-6-7-9-16/h16H,6-11H2,1-5H3,(H,15,17)
InChIKeyILBYSDXGUUVRTA-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.73
Rot. Bonds7

About 5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide

5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide (PubChem CID 176680501) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide
PubChem CID176680501
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide
SMILESCC(C)(C)CC(C)(C)CNC(=O)CCCCO
InChIInChI=1S/C14H29NO2/c1-13(2,3)10-14(4,5)11-15-12(17)8-6-7-9-16/h16H,6-11H2,1-5H3,(H,15,17)
InChIKeyILBYSDXGUUVRTA-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide?
The IUPAC name of 5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide (CID 176680501) is 5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide?
The canonical SMILES for 5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide is CC(C)(C)CC(C)(C)CNC(=O)CCCCO.
What is the InChIKey of 5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide?
The InChIKey is ILBYSDXGUUVRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2,3)10-14(4,5)11-15-12(17)8-6-7-9-16/h16H,6-11H2,1-5H3,(H,15,17).
What are the key properties of 5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide?
5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide has a molecular weight of 243.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(2,2,4,4-tetramethylpentyl)pentanamide is sourced from PubChem (CID 176680501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).