4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide

C17H25NO3 — CID 109380851

IUPAC4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
SMILESCC(=O)c1ccc(C(=O)NCC(C)(C)C(O)C(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-11(2)15(20)17(4,5)10-18-16(21)14-8-6-13(7-9-14)12(3)19/h6-9,11,15,20H,10H2,1-5H3,(H,18,21)
InChIKeyLUMTVPMXAWXJPY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.66
Rot. Bonds6

About 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide

4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide (PubChem CID 109380851) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide.

Molecular Properties

Compound Name4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
PubChem CID109380851
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
SMILESCC(=O)c1ccc(C(=O)NCC(C)(C)C(O)C(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-11(2)15(20)17(4,5)10-18-16(21)14-8-6-13(7-9-14)12(3)19/h6-9,11,15,20H,10H2,1-5H3,(H,18,21)
InChIKeyLUMTVPMXAWXJPY-UHFFFAOYSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 109381099
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide
CID 109381074
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide
CID 109379514
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109381000
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide
CID 109381094
4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322
1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide
CID 109380792
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 109389253

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
The IUPAC name of 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide (CID 109380851) is 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide.
What is the SMILES notation for 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
The canonical SMILES for 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide is CC(=O)c1ccc(C(=O)NCC(C)(C)C(O)C(C)C)cc1.
What is the InChIKey of 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
The InChIKey is LUMTVPMXAWXJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)15(20)17(4,5)10-18-16(21)14-8-6-13(7-9-14)12(3)19/h6-9,11,15,20H,10H2,1-5H3,(H,18,21).
What are the key properties of 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide is sourced from PubChem (CID 109380851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).