N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide

C15H23NO3 — CID 65114317

IUPACN-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-5-15(4,18)10-16-14(17)12-6-8-13(9-7-12)19-11(2)3/h6-9,11,18H,5,10H2,1-4H3,(H,16,17)
InChIKeyUUFFEQJQWBGTEI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.36
Rot. Bonds6

About N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide

N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide (PubChem CID 65114317) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide
PubChem CID65114317
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-5-15(4,18)10-16-14(17)12-6-8-13(9-7-12)19-11(2)3/h6-9,11,18H,5,10H2,1-4H3,(H,16,17)
InChIKeyUUFFEQJQWBGTEI-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide
CID 90498496
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
CID 95367999
N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide
CID 90499285
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-(2-methylbutan-2-yl)-4-propan-2-yloxybenzamide
CID 56920644
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325
N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
CID 106289382
N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide
CID 65114573
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide (CID 65114317) is N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide is CCC(C)(O)CNC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide?
The InChIKey is UUFFEQJQWBGTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-15(4,18)10-16-14(17)12-6-8-13(9-7-12)19-11(2)3/h6-9,11,18H,5,10H2,1-4H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide?
N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide has a molecular weight of 265.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 65114317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).