N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide

C15H23NO3 — CID 65112007

IUPACN-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(COC)cc1
InChIInChI=1S/C15H23NO3/c1-4-15(18,5-2)11-16-14(17)13-8-6-12(7-9-13)10-19-3/h6-9,18H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyQBXZCZDJBAEEBG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.11
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide

N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide (PubChem CID 65112007) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
PubChem CID65112007
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(COC)cc1
InChIInChI=1S/C15H23NO3/c1-4-15(18,5-2)11-16-14(17)13-8-6-12(7-9-13)10-19-3/h6-9,18H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyQBXZCZDJBAEEBG-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[[[4-(methoxymethyl)benzoyl]amino]methyl]butanoic acid
CID 115429725
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
CID 103712392
4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
N-(2-ethyl-2-hydroxybutyl)-4-formylbenzamide
CID 111463479
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
CID 65112295
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
CID 119503363
N-(2-ethyl-2-hydroxybutyl)-4-nitrobenzamide
CID 65112701
N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide
CID 65112036

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide (CID 65112007) is N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide is CCC(O)(CC)CNC(=O)c1ccc(COC)cc1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide?
The InChIKey is QBXZCZDJBAEEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-15(18,5-2)11-16-14(17)13-8-6-12(7-9-13)10-19-3/h6-9,18H,4-5,10-11H2,1-3H3,(H,16,17).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide?
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide is sourced from PubChem (CID 65112007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).