N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide

C9H19NO3 — CID 45119240

IUPACN-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide
SMILESCC(=O)NCCCCC(CO)CO
InChIInChI=1S/C9H19NO3/c1-8(13)10-5-3-2-4-9(6-11)7-12/h9,11-12H,2-7H2,1H3,(H,10,13)
InChIKeyKAUWSRXQRGNEEB-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.11
Rot. Bonds7

About N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide

N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide (PubChem CID 45119240) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide.

Molecular Properties

Compound NameN-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide
PubChem CID45119240
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide
SMILESCC(=O)NCCCCC(CO)CO
InChIInChI=1S/C9H19NO3/c1-8(13)10-5-3-2-4-9(6-11)7-12/h9,11-12H,2-7H2,1H3,(H,10,13)
InChIKeyKAUWSRXQRGNEEB-UHFFFAOYSA-N
XLogP-0.11
TPSA69.56 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 ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-hydroxy-4-methylpentyl)]acetamide
CID 25759525
CID 53833043
CID 53833043
N-(6-Hydroxyhexyl)acetamide
CID 12571395
N-(7-hydroxy-6-methyl-octyl)-acetamide
CID 163116185
N-(6-Hydroxyhexyl)butanamide
CID 15732299
2,2,2-trifluoro-N-[8-hydroxy-7-(hydroxymethyl)octyl]acetamide
CID 59646293
ethane;N-(2-methylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol
CID 145149403
2-hydroxy-N-(7-methyloctyl) acetamide
CID 166176579
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
2,2,2-trifluoro-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725742
2,2,3,3-tetrafluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103820625
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-(trifluoromethyl)propanamide
CID 106115884

Frequently Asked Questions

What is the IUPAC name of N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide?
The IUPAC name of N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide (CID 45119240) is N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide.
What is the SMILES notation for N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide?
The canonical SMILES for N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide is CC(=O)NCCCCC(CO)CO.
What is the InChIKey of N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide?
The InChIKey is KAUWSRXQRGNEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(13)10-5-3-2-4-9(6-11)7-12/h9,11-12H,2-7H2,1H3,(H,10,13).
What are the key properties of N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide?
N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide has a molecular weight of 189.25 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-hydroxy-5-(hydroxymethyl)hexyl]acetamide is sourced from PubChem (CID 45119240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).