N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide

C12H25NO3 — CID 106288862

IUPACN-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide
SMILESCCC(CC)C(O)CNC(=O)CCCCO
InChIInChI=1S/C12H25NO3/c1-3-10(4-2)11(15)9-13-12(16)7-5-6-8-14/h10-11,14-15H,3-9H2,1-2H3,(H,13,16)
InChIKeyWFSKZPZFOQMPMX-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.06
Rot. Bonds9

About N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide

N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide (PubChem CID 106288862) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide
PubChem CID106288862
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide
SMILESCCC(CC)C(O)CNC(=O)CCCCO
InChIInChI=1S/C12H25NO3/c1-3-10(4-2)11(15)9-13-12(16)7-5-6-8-14/h10-11,14-15H,3-9H2,1-2H3,(H,13,16)
InChIKeyWFSKZPZFOQMPMX-UHFFFAOYSA-N
XLogP1.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.06
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

4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 113234511
4-amino-N-(3-ethyl-2-hydroxypentyl)pentanamide;hydrochloride
CID 120562635
20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide
CID 87382092
N-(2,3-dihydroxypropyl)-5-hydroxypentanamide
CID 79208714
2-acetamido-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658528
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105
7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride
CID 119784017
N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 101193409
4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide
CID 106286630
2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate
CID 106288865
N-(2-bromo-3-ethylpentyl)hexanamide
CID 106287879
N-(2-amino-3-ethylpentyl)hexanamide
CID 106285983

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide (CID 106288862) is N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide is CCC(CC)C(O)CNC(=O)CCCCO.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide?
The InChIKey is WFSKZPZFOQMPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-10(4-2)11(15)9-13-12(16)7-5-6-8-14/h10-11,14-15H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide?
N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide has a molecular weight of 231.34 g/mol, XLogP of 1.06, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide is sourced from PubChem (CID 106288862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).