N-(2-hydroxy-7-methyloctyl)acetamide

C11H23NO2 — CID 166176579

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

About N-(2-hydroxy-7-methyloctyl)acetamide

N-(2-hydroxy-7-methyloctyl)acetamide (PubChem CID 166176579) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(2-hydroxy-7-methyloctyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-7-methyloctyl)acetamide
PubChem CID166176579
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(2-hydroxy-7-methyloctyl)acetamide
SMILESCC(=O)NCC(O)CCCCC(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)6-4-5-7-11(14)8-12-10(3)13/h9,11,14H,4-8H2,1-3H3,(H,12,13)
InChIKeyVRCIHRNAXGKNDP-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-(2-hydroxy-7-methyloctyl)acetamide?
The IUPAC name of N-(2-hydroxy-7-methyloctyl)acetamide (CID 166176579) is N-(2-hydroxy-7-methyloctyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-7-methyloctyl)acetamide?
The canonical SMILES for N-(2-hydroxy-7-methyloctyl)acetamide is CC(=O)NCC(O)CCCCC(C)C.
What is the InChIKey of N-(2-hydroxy-7-methyloctyl)acetamide?
The InChIKey is VRCIHRNAXGKNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)6-4-5-7-11(14)8-12-10(3)13/h9,11,14H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-(2-hydroxy-7-methyloctyl)acetamide?
N-(2-hydroxy-7-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-(2-hydroxy-7-methyloctyl)acetamide is sourced from PubChem (CID 166176579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).