N-(hydroxymethyl)-4-methylhexanamide

C8H17NO2 — CID 88779870

IUPACN-(hydroxymethyl)-4-methylhexanamide
SMILESCCC(C)CCC(=O)NCO
InChIInChI=1S/C8H17NO2/c1-3-7(2)4-5-8(11)9-6-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyANLGPOADLMOTEO-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.88
Rot. Bonds5

About N-(hydroxymethyl)-4-methylhexanamide

N-(hydroxymethyl)-4-methylhexanamide (PubChem CID 88779870) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(hydroxymethyl)-4-methylhexanamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-4-methylhexanamide
PubChem CID88779870
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(hydroxymethyl)-4-methylhexanamide
SMILESCCC(C)CCC(=O)NCO
InChIInChI=1S/C8H17NO2/c1-3-7(2)4-5-8(11)9-6-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyANLGPOADLMOTEO-UHFFFAOYSA-N
XLogP0.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-tridecylhexanamide
CID 89162842
4-hydroxy-N-(2-methylbutyl)pentanamide
CID 79193367
bromo 4-methylhexanoate
CID 174730777
8-methyldecane-4,5-dione
CID 141348222
5-amino-4-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114617228
6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine
CID 144918108
N-(hydroxymethyl)henicosanamide
CID 102116485
N-[2-(ethylamino)-2-oxoethoxy]-4-methylhexanamide;molecular hydrogen
CID 177167063
4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
CID 163400778
2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid
CID 82689234
methyl (Z)-3,4,7-trimethylnon-3-enoate
CID 121441015
3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-4-methylhexanamide?
The IUPAC name of N-(hydroxymethyl)-4-methylhexanamide (CID 88779870) is N-(hydroxymethyl)-4-methylhexanamide.
What is the SMILES notation for N-(hydroxymethyl)-4-methylhexanamide?
The canonical SMILES for N-(hydroxymethyl)-4-methylhexanamide is CCC(C)CCC(=O)NCO.
What is the InChIKey of N-(hydroxymethyl)-4-methylhexanamide?
The InChIKey is ANLGPOADLMOTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-7(2)4-5-8(11)9-6-10/h7,10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-(hydroxymethyl)-4-methylhexanamide?
N-(hydroxymethyl)-4-methylhexanamide has a molecular weight of 159.23 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-4-methylhexanamide is sourced from PubChem (CID 88779870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).