4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide

C17H27NO2 — CID 103771049

IUPAC4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)CC(O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)10-15(19)11-18-16(20)13-6-8-14(9-7-13)17(3,4)5/h6-9,12,15,19H,10-11H2,1-5H3,(H,18,20)
InChIKeyZVTDCLBYIUZHKP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.12
Rot. Bonds5

About 4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide

4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide (PubChem CID 103771049) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
PubChem CID103771049
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)CC(O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)10-15(19)11-18-16(20)13-6-8-14(9-7-13)17(3,4)5/h6-9,12,15,19H,10-11H2,1-5H3,(H,18,20)
InChIKeyZVTDCLBYIUZHKP-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694
N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide
CID 103771543
4-tert-butyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914606
3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
CID 55105588
3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 103770930
4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 103771258
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide
CID 104629610
3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103842950
N-(2-hydroxy-4-methylpentyl)-1,3-benzodioxole-5-carboxamide
CID 103771408
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796
6-(dimethylamino)-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103771018

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide (CID 103771049) is 4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide is CC(C)CC(O)CNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide?
The InChIKey is ZVTDCLBYIUZHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)10-15(19)11-18-16(20)13-6-8-14(9-7-13)17(3,4)5/h6-9,12,15,19H,10-11H2,1-5H3,(H,18,20).
What are the key properties of 4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide?
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide has a molecular weight of 277.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 103771049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).