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

C15H31NO2 — CID 103770593

IUPAC2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide
SMILESCCCCC(CC)C(=O)NCC(O)C(CC)CC
InChIInChI=1S/C15H31NO2/c1-5-9-10-13(8-4)15(18)16-11-14(17)12(6-2)7-3/h12-14,17H,5-11H2,1-4H3,(H,16,18)
InChIKeyWFEGAEVKRHISCF-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.12
Rot. Bonds10

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

2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide (PubChem CID 103770593) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide
PubChem CID103770593
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide
SMILESCCCCC(CC)C(=O)NCC(O)C(CC)CC
InChIInChI=1S/C15H31NO2/c1-5-9-10-13(8-4)15(18)16-11-14(17)12(6-2)7-3/h12-14,17H,5-11H2,1-4H3,(H,16,18)
InChIKeyWFEGAEVKRHISCF-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide
CID 114246674
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-ethyl-N-[2-(methylamino)propyl]hexanamide;hydrochloride
CID 120832362
2-ethyl-N-pentylhexanamide
CID 5123867
2-[(2-ethylhexanoylamino)methyl]pentanoic acid
CID 65218605
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]hexanamide
CID 113430445
methyl 2-chloro-3-(2-ethylhexanoylamino)propanoate
CID 103492909
(2S)-2-ethylhexanehydrazide
CID 40549650
N-(3-ethyl-2-hydroxypentyl)-2-methyl-3-(methylamino)propanamide
CID 103811142
N-(6-bromohexyl)-2-ethylhexanamide
CID 107847533
N-(2-cyanoethyl)-2-ethylhexanamide
CID 62666386
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide
CID 115456860

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide?
The IUPAC name of 2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide (CID 103770593) is 2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide?
The canonical SMILES for 2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide is CCCCC(CC)C(=O)NCC(O)C(CC)CC.
What is the InChIKey of 2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide?
The InChIKey is WFEGAEVKRHISCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-9-10-13(8-4)15(18)16-11-14(17)12(6-2)7-3/h12-14,17H,5-11H2,1-4H3,(H,16,18).
What are the key properties of 2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide?
2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide has a molecular weight of 257.42 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide is sourced from PubChem (CID 103770593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).