N-(7-hydroxy-6-methyloctyl)acetamide

C11H23NO2 — CID 163116185

IUPACN-(7-hydroxy-6-methyloctyl)acetamide
SMILESCC(=O)NCCCCCC(C)C(C)O
InChIInChI=1S/C11H23NO2/c1-9(10(2)13)7-5-4-6-8-12-11(3)14/h9-10,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyZJIMVXLDDNBLAK-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.70
Rot. Bonds7

About N-(7-hydroxy-6-methyloctyl)acetamide

N-(7-hydroxy-6-methyloctyl)acetamide (PubChem CID 163116185) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(7-hydroxy-6-methyloctyl)acetamide.

Molecular Properties

Compound NameN-(7-hydroxy-6-methyloctyl)acetamide
PubChem CID163116185
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(7-hydroxy-6-methyloctyl)acetamide
SMILESCC(=O)NCCCCCC(C)C(C)O
InChIInChI=1S/C11H23NO2/c1-9(10(2)13)7-5-4-6-8-12-11(3)14/h9-10,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyZJIMVXLDDNBLAK-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.70
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 N-(7-hydroxy-6-methyloctyl)acetamide?
The IUPAC name of N-(7-hydroxy-6-methyloctyl)acetamide (CID 163116185) is N-(7-hydroxy-6-methyloctyl)acetamide.
What is the SMILES notation for N-(7-hydroxy-6-methyloctyl)acetamide?
The canonical SMILES for N-(7-hydroxy-6-methyloctyl)acetamide is CC(=O)NCCCCCC(C)C(C)O.
What is the InChIKey of N-(7-hydroxy-6-methyloctyl)acetamide?
The InChIKey is ZJIMVXLDDNBLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(10(2)13)7-5-4-6-8-12-11(3)14/h9-10,13H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-(7-hydroxy-6-methyloctyl)acetamide?
N-(7-hydroxy-6-methyloctyl)acetamide has a molecular weight of 201.31 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxy-6-methyloctyl)acetamide is sourced from PubChem (CID 163116185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).