N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide

C14H29NO2 — CID 114246674

IUPACN-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide
SMILESCCCCC(C)C(=O)NCC(O)C(CC)CC
InChIInChI=1S/C14H29NO2/c1-5-8-9-11(4)14(17)15-10-13(16)12(6-2)7-3/h11-13,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyDESLDUNEKJNQQP-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.73
Rot. Bonds9

About N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide

N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide (PubChem CID 114246674) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide
PubChem CID114246674
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide
SMILESCCCCC(C)C(=O)NCC(O)C(CC)CC
InChIInChI=1S/C14H29NO2/c1-5-8-9-11(4)14(17)15-10-13(16)12(6-2)7-3/h11-13,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyDESLDUNEKJNQQP-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide
CID 103770593
N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide
CID 103811142
N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 114168386
1-(3-ethyl-2-hydroxypentyl)-3-propylurea
CID 103657880
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
CID 97227824
(2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide
CID 103950758
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride
CID 119783564
2-methyl-N-nonyldecanamide
CID 141429494
(3S)-5-methyl-3-[(2-methylhexanoylamino)methyl]hexanoic acid
CID 114246037
2-methyl-N-propan-2-ylhexanamide
CID 19752015
4-amino-N-(3-ethyl-2-hydroxypentyl)pentanamide;hydrochloride
CID 120562635

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide (CID 114246674) is N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide is CCCCC(C)C(=O)NCC(O)C(CC)CC.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide?
The InChIKey is DESLDUNEKJNQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-8-9-11(4)14(17)15-10-13(16)12(6-2)7-3/h11-13,16H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide?
N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide has a molecular weight of 243.39 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide is sourced from PubChem (CID 114246674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).