8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide

C19H39NO3 — CID 91426047

IUPAC8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide
SMILESCC(C)(CO)CCCCCNC(=O)CCCCCC(C)(C)CO
InChIInChI=1S/C19H39NO3/c1-18(2,15-21)12-8-5-7-11-17(23)20-14-10-6-9-13-19(3,4)16-22/h21-22H,5-16H2,1-4H3,(H,20,23)
InChIKeyNCFZZLDRVDHYMU-UHFFFAOYSA-N
MW329.53 g/mol
LogP3.65
Rot. Bonds14

About 8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide

8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide (PubChem CID 91426047) has the molecular formula C19H39NO3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide.

Molecular Properties

Compound Name8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide
PubChem CID91426047
Molecular FormulaC19H39NO3
Molecular Weight329.53 g/mol
Exact Mass329.29
IUPAC Name8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide
SMILESCC(C)(CO)CCCCCNC(=O)CCCCCC(C)(C)CO
InChIInChI=1S/C19H39NO3/c1-18(2,15-21)12-8-5-7-11-17(23)20-14-10-6-9-13-19(3,4)16-22/h21-22H,5-16H2,1-4H3,(H,20,23)
InChIKeyNCFZZLDRVDHYMU-UHFFFAOYSA-N
XLogP3.65
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 53.65
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

N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
CID 155298915
N-butyl-10,10-dimethylundecanamide
CID 19922141
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-hexadecylhexanamide
CID 4953738
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide?
The IUPAC name of 8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide (CID 91426047) is 8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide.
What is the SMILES notation for 8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide?
The canonical SMILES for 8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide is CC(C)(CO)CCCCCNC(=O)CCCCCC(C)(C)CO.
What is the InChIKey of 8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide?
The InChIKey is NCFZZLDRVDHYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3/c1-18(2,15-21)12-8-5-7-11-17(23)20-14-10-6-9-13-19(3,4)16-22/h21-22H,5-16H2,1-4H3,(H,20,23).
What are the key properties of 8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide?
8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide has a molecular weight of 329.53 g/mol, XLogP of 3.65, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-(7-hydroxy-6,6-dimethylheptyl)-7,7-dimethyloctanamide is sourced from PubChem (CID 91426047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).