N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide

C11H23NO3 — CID 90225692

IUPACN-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide
SMILESCCCCCCC(CO)(CO)NC(C)=O
InChIInChI=1S/C11H23NO3/c1-3-4-5-6-7-11(8-13,9-14)12-10(2)15/h13-14H,3-9H2,1-2H3,(H,12,15)
InChIKeyAHAARGNDSDKQNQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.82
Rot. Bonds8

About N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide

N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide (PubChem CID 90225692) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide
PubChem CID90225692
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide
SMILESCCCCCCC(CO)(CO)NC(C)=O
InChIInChI=1S/C11H23NO3/c1-3-4-5-6-7-11(8-13,9-14)12-10(2)15/h13-14H,3-9H2,1-2H3,(H,12,15)
InChIKeyAHAARGNDSDKQNQ-UHFFFAOYSA-N
XLogP0.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.82
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

2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol
CID 19798932
2-acetamidooctan-2-yl acetate
CID 88542217
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
2-methyl-2-octyltridecan-1-ol
CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707
2,2-dimethyldecan-1-ol
CID 520069
2-methyl-2-pentylnonan-1-ol
CID 138503898
2-amino-2-pentadecylpropane-1,3-diol
CID 10266875
2-amino-2-octadecylpropane-1,3-diol
CID 10712432
N-(1-hydroxy-2-methylpentan-2-yl)acetamide
CID 131204688
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide (CID 90225692) is N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide is CCCCCCC(CO)(CO)NC(C)=O.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide?
The InChIKey is AHAARGNDSDKQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-4-5-6-7-11(8-13,9-14)12-10(2)15/h13-14H,3-9H2,1-2H3,(H,12,15).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide?
N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide has a molecular weight of 217.31 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide is sourced from PubChem (CID 90225692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).