4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

C17H25NO3 — CID 111662598

IUPAC4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCC(CCO)CC(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)10-14(8-9-19)11-18-17(21)16-6-4-15(5-7-16)13(3)20/h4-7,12,14,19H,8-11H2,1-3H3,(H,18,21)
InChIKeyVUJMZWPRQVCTJR-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.66
Rot. Bonds8

About 4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (PubChem CID 111662598) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
PubChem CID111662598
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(=O)c1ccc(C(=O)NCC(CCO)CC(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)10-14(8-9-19)11-18-17(21)16-6-4-15(5-7-16)13(3)20/h4-7,12,14,19H,8-11H2,1-3H3,(H,18,21)
InChIKeyVUJMZWPRQVCTJR-UHFFFAOYSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111697564
3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 119817771
N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111697434
2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662482
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 111697544
3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide
CID 71864150
3-[[(4-aminobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65493934
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methyl-5-nitrobenzamide
CID 111697440
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111860779

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The IUPAC name of 4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (CID 111662598) is 4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The canonical SMILES for 4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is CC(=O)c1ccc(C(=O)NCC(CCO)CC(C)C)cc1.
What is the InChIKey of 4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The InChIKey is VUJMZWPRQVCTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)10-14(8-9-19)11-18-17(21)16-6-4-15(5-7-16)13(3)20/h4-7,12,14,19H,8-11H2,1-3H3,(H,18,21).
What are the key properties of 4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is sourced from PubChem (CID 111662598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).