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

C15H21NO3 — CID 111483322

IUPAC4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H21NO3/c1-4-15(19,5-2)10-16-14(18)13-8-6-12(7-9-13)11(3)17/h6-9,19H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyXRRLTOJTJFWJER-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.17
Rot. Bonds6

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

4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide (PubChem CID 111483322) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide.

Molecular Properties

Compound Name4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
PubChem CID111483322
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H21NO3/c1-4-15(19,5-2)10-16-14(18)13-8-6-12(7-9-13)11(3)17/h6-9,19H,4-5,10H2,1-3H3,(H,16,18)
InChIKeyXRRLTOJTJFWJER-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
CID 65112295
N-(2-ethyl-2-hydroxybutyl)-4-formylbenzamide
CID 111463479
N-(2-ethyl-2-hydroxybutyl)-4-nitrobenzamide
CID 65112701
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007
N-(2-ethyl-2-hydroxyhexyl)-4-hydroxybenzamide
CID 142176997
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide
CID 65114221
N-(2-ethyl-2-hydroxybutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 111463535
N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide
CID 65112036
N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide
CID 114492846
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
CID 114821770

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide?
The IUPAC name of 4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide (CID 111483322) is 4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide.
What is the SMILES notation for 4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide?
The canonical SMILES for 4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide is CCC(O)(CC)CNC(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide?
The InChIKey is XRRLTOJTJFWJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-15(19,5-2)10-16-14(18)13-8-6-12(7-9-13)11(3)17/h6-9,19H,4-5,10H2,1-3H3,(H,16,18).
What are the key properties of 4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide?
4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide has a molecular weight of 263.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide is sourced from PubChem (CID 111483322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).