2-hydroxy-2-(hydroxymethyl)octanamide

C9H19NO3 — CID 87546274

IUPAC2-hydroxy-2-(hydroxymethyl)octanamide
SMILESCCCCCCC(O)(CO)C(N)=O
InChIInChI=1S/C9H19NO3/c1-2-3-4-5-6-9(13,7-11)8(10)12/h11,13H,2-7H2,1H3,(H2,10,12)
InChIKeyDLPOJANYFGQKKF-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.17
Rot. Bonds7

About 2-hydroxy-2-(hydroxymethyl)octanamide

2-hydroxy-2-(hydroxymethyl)octanamide (PubChem CID 87546274) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-hydroxy-2-(hydroxymethyl)octanamide.

Molecular Properties

Compound Name2-hydroxy-2-(hydroxymethyl)octanamide
PubChem CID87546274
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-hydroxy-2-(hydroxymethyl)octanamide
SMILESCCCCCCC(O)(CO)C(N)=O
InChIInChI=1S/C9H19NO3/c1-2-3-4-5-6-9(13,7-11)8(10)12/h11,13H,2-7H2,1H3,(H2,10,12)
InChIKeyDLPOJANYFGQKKF-UHFFFAOYSA-N
XLogP0.17
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.17
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-hydroxy-2-(hydroxymethyl)decanamide
CID 87546710
2-ethyl-2-hydroxyhexanamide
CID 18943167
2-ethyl-2-hydroxyoctadec-9-enamide
CID 173437552
2-ethyl-2-hydroxyoctadecanoic acid
CID 23182335
(2R)-2-dodecyl-2-hydroxytricosanoic acid
CID 163058779
2,2-dimethylhexadecanamide
CID 23297438
2-hydroxy-2-pentyloctanoic acid
CID 18462834
2,2-dimethyldecanamide
CID 22596903
2-icosyl-2-pentyldocosanamide
CID 175538156
3-hydroxy-3-(hydroxymethyl)heptan-2-one
CID 118643161
2-hexyl-2-hydroxyoctanethioic S-acid
CID 88618272
2-hydroxy-2-pentylheptanoic acid
CID 18462857

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(hydroxymethyl)octanamide?
The IUPAC name of 2-hydroxy-2-(hydroxymethyl)octanamide (CID 87546274) is 2-hydroxy-2-(hydroxymethyl)octanamide.
What is the SMILES notation for 2-hydroxy-2-(hydroxymethyl)octanamide?
The canonical SMILES for 2-hydroxy-2-(hydroxymethyl)octanamide is CCCCCCC(O)(CO)C(N)=O.
What is the InChIKey of 2-hydroxy-2-(hydroxymethyl)octanamide?
The InChIKey is DLPOJANYFGQKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-3-4-5-6-9(13,7-11)8(10)12/h11,13H,2-7H2,1H3,(H2,10,12).
What are the key properties of 2-hydroxy-2-(hydroxymethyl)octanamide?
2-hydroxy-2-(hydroxymethyl)octanamide has a molecular weight of 189.25 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(hydroxymethyl)octanamide is sourced from PubChem (CID 87546274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).