7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide

C17H35NO3 — CID 11493181

IUPAC7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide
SMILESCC(C)(CO)CCCCNC(=O)CCCCC(C)(C)CO
InChIInChI=1S/C17H35NO3/c1-16(2,13-19)10-6-5-9-15(21)18-12-8-7-11-17(3,4)14-20/h19-20H,5-14H2,1-4H3,(H,18,21)
InChIKeyYZALCABZQQRLJS-UHFFFAOYSA-N
MW301.47 g/mol
LogP2.87
Rot. Bonds12

About 7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide

7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide (PubChem CID 11493181) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide.

Molecular Properties

Compound Name7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide
PubChem CID11493181
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide
SMILESCC(C)(CO)CCCCNC(=O)CCCCC(C)(C)CO
InChIInChI=1S/C17H35NO3/c1-16(2,13-19)10-6-5-9-15(21)18-12-8-7-11-17(3,4)14-20/h19-20H,5-14H2,1-4H3,(H,18,21)
InChIKeyYZALCABZQQRLJS-UHFFFAOYSA-N
XLogP2.87
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide?
The IUPAC name of 7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide (CID 11493181) is 7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide.
What is the SMILES notation for 7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide?
The canonical SMILES for 7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide is CC(C)(CO)CCCCNC(=O)CCCCC(C)(C)CO.
What is the InChIKey of 7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide?
The InChIKey is YZALCABZQQRLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-16(2,13-19)10-6-5-9-15(21)18-12-8-7-11-17(3,4)14-20/h19-20H,5-14H2,1-4H3,(H,18,21).
What are the key properties of 7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide?
7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide has a molecular weight of 301.47 g/mol, XLogP of 2.87, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-(6-hydroxy-5,5-dimethylhexyl)-6,6-dimethylheptanamide is sourced from PubChem (CID 11493181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).