N-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide

C12H25NO2 — CID 123170114

IUPACN-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide
SMILESCC(=O)N(C)C(CCCC(C)C)C(C)O
InChIInChI=1S/C12H25NO2/c1-9(2)7-6-8-12(10(3)14)13(5)11(4)15/h9-10,12,14H,6-8H2,1-5H3
InChIKeyLKXNDAZCFNEHNA-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.04
Rot. Bonds6

About N-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide

N-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide (PubChem CID 123170114) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide
PubChem CID123170114
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide
SMILESCC(=O)N(C)C(CCCC(C)C)C(C)O
InChIInChI=1S/C12H25NO2/c1-9(2)7-6-8-12(10(3)14)13(5)11(4)15/h9-10,12,14H,6-8H2,1-5H3
InChIKeyLKXNDAZCFNEHNA-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
N-acetyl-N,5-dimethylhexanamide
CID 122207721
N-[10-(hydroxymethyl)nonadecan-9-yl]-N-methylacetamide
CID 88650874
bis(5-methylhexyl) but-2-ynedioate
CID 88925532
N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
CID 99908303
2-methylheptane;propan-2-ol;propan-2-one
CID 175261137
N,8-dimethyl-N-propan-2-ylnonanamide
CID 170241265
N,9-dimethyl-N-propan-2-yldecanamide
CID 170241261
[(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate
CID 174076582
methyl (2S)-2,6-dimethylheptanoate
CID 54536148
N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide
CID 129049376
1-methoxy-5-methylhexan-1-ol
CID 167712428

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide?
The IUPAC name of N-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide (CID 123170114) is N-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide?
The canonical SMILES for N-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide is CC(=O)N(C)C(CCCC(C)C)C(C)O.
What is the InChIKey of N-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide?
The InChIKey is LKXNDAZCFNEHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)7-6-8-12(10(3)14)13(5)11(4)15/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of N-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide?
N-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide has a molecular weight of 215.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-7-methyloctan-3-yl)-N-methylacetamide is sourced from PubChem (CID 123170114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).