N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide

C9H19NO4 — CID 59918479

IUPACN-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide
SMILESCCCC(C)C(O)C(=O)NCC(O)O
InChIInChI=1S/C9H19NO4/c1-3-4-6(2)8(13)9(14)10-5-7(11)12/h6-8,11-13H,3-5H2,1-2H3,(H,10,14)
InChIKeyLWFYQANGYJGIDJ-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.79
Rot. Bonds6

About N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide

N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide (PubChem CID 59918479) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide.

Molecular Properties

Compound NameN-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide
PubChem CID59918479
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide
SMILESCCCC(C)C(O)C(=O)NCC(O)O
InChIInChI=1S/C9H19NO4/c1-3-4-6(2)8(13)9(14)10-5-7(11)12/h6-8,11-13H,3-5H2,1-2H3,(H,10,14)
InChIKeyLWFYQANGYJGIDJ-UHFFFAOYSA-N
XLogP-0.79
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide 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

tert-butyl 2-[(2-hydroxy-3-methylhexanoyl)amino]acetate
CID 20810601
3-hydroxy-4-methylheptan-2-one
CID 45085736
2-hydroxy-3-methylhexanamide
CID 62226604
N-[(2S)-2-hydroxypropyl]-2-propylpentanamide
CID 10058650
(2S)-2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide
CID 134189475
2-hydroxy-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;3-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide
CID 158166842
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
N-(2-methylpropyl)-2-(pentan-2-ylamino)propanamide
CID 43087379
N-(2,2-diethoxyethyl)-2-methylpentanamide
CID 79547187
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
CID 86762425
N-(2,2-dihydroxyethyl)-2-methylpropanamide;N-[(2R)-2-hydroxybutyl]-3-methyl-2-oxobutanamide;(2S)-2-hydroxy-N-(2-hydroxybutyl)-3-methylbutanamide;2-hydroxy-N-[(2R)-2-hydroxybutyl]-3-methylbutanamide;(3S)-3-hydroxy-4-methylpentan-2-one;methane
CID 158213245

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide?
The IUPAC name of N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide (CID 59918479) is N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide.
What is the SMILES notation for N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide?
The canonical SMILES for N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide is CCCC(C)C(O)C(=O)NCC(O)O.
What is the InChIKey of N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide?
The InChIKey is LWFYQANGYJGIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-4-6(2)8(13)9(14)10-5-7(11)12/h6-8,11-13H,3-5H2,1-2H3,(H,10,14).
What are the key properties of N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide?
N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide has a molecular weight of 205.25 g/mol, XLogP of -0.79, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dihydroxyethyl)-2-hydroxy-3-methylhexanamide is sourced from PubChem (CID 59918479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).