N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide

C17H27NO3 — CID 111859470

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)C(C)(O)CNC(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-12(2)17(6,20)11-18-15(19)13-7-9-14(10-8-13)21-16(3,4)5/h7-10,12,20H,11H2,1-6H3,(H,18,19)
InChIKeyQGJSGUIBAZPFEJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide

N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 111859470) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID111859470
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)C(C)(O)CNC(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-12(2)17(6,20)11-18-15(19)13-7-9-14(10-8-13)21-16(3,4)5/h7-10,12,20H,11H2,1-6H3,(H,18,19)
InChIKeyQGJSGUIBAZPFEJ-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide
CID 111483880
N-(2-hydroxy-2,3-dimethylbutyl)-4-[(prop-2-enoylamino)methyl]benzamide
CID 111486450
3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484140
N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110464682
N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide
CID 65114317
N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 111484297
N-[4-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 111483718
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 111484572
N-(1-hydroxybutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110466125
4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111463618
2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
CID 111483981

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide (CID 111859470) is N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide is CC(C)C(C)(O)CNC(=O)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is QGJSGUIBAZPFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)17(6,20)11-18-15(19)13-7-9-14(10-8-13)21-16(3,4)5/h7-10,12,20H,11H2,1-6H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 293.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 111859470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).