2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide

C14H29NO3 — CID 113245983

IUPAC2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
SMILESCCCCC(CC)C(=O)NCC(C)(O)CCOC
InChIInChI=1S/C14H29NO3/c1-5-7-8-12(6-2)13(16)15-11-14(3,17)9-10-18-4/h12,17H,5-11H2,1-4H3,(H,15,16)
InChIKeyDCPOUKSROKUFQC-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.11
Rot. Bonds10

About 2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide

2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide (PubChem CID 113245983) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
PubChem CID113245983
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
SMILESCCCCC(CC)C(=O)NCC(C)(O)CCOC
InChIInChI=1S/C14H29NO3/c1-5-7-8-12(6-2)13(16)15-11-14(3,17)9-10-18-4/h12,17H,5-11H2,1-4H3,(H,15,16)
InChIKeyDCPOUKSROKUFQC-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 106254850
N-(5-bromo-2,2-dimethylpentyl)-2-ethylhexanamide
CID 106145033
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
CID 106254016
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,2-dimethylbutanamide
CID 103712407
2-ethyl-N-pentylhexanamide
CID 5123867
6-amino-4-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 106254569
3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide
CID 106254861
1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 103729745
2-(2-ethylhexanoylamino)-3-methoxypropanoic acid
CID 81076563
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]butanamide
CID 106254647

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide?
The IUPAC name of 2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide (CID 113245983) is 2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide?
The canonical SMILES for 2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide is CCCCC(CC)C(=O)NCC(C)(O)CCOC.
What is the InChIKey of 2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide?
The InChIKey is DCPOUKSROKUFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-5-7-8-12(6-2)13(16)15-11-14(3,17)9-10-18-4/h12,17H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide?
2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide has a molecular weight of 259.39 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide is sourced from PubChem (CID 113245983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).