N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide

C13H19NO2 — CID 65109665

IUPACN-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-4-13(3,16)9-14-12(15)11-7-5-10(2)6-8-11/h5-8,16H,4,9H2,1-3H3,(H,14,15)
InChIKeySVKMNVKJHRIRQP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.89
Rot. Bonds4

About N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide

N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide (PubChem CID 65109665) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
PubChem CID65109665
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-4-13(3,16)9-14-12(15)11-7-5-10(2)6-8-11/h5-8,16H,4,9H2,1-3H3,(H,14,15)
InChIKeySVKMNVKJHRIRQP-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide
CID 114492848
4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide
CID 65114317
N-(2-hydroxy-2-methylbutyl)-3-methyl-4-nitrobenzamide
CID 65114393
1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea
CID 94799282
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 103908910
N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106753404
4-bromo-N-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
CID 65114999
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide
CID 114492846

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide (CID 65109665) is N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide is CCC(C)(O)CNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide?
The InChIKey is SVKMNVKJHRIRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-13(3,16)9-14-12(15)11-7-5-10(2)6-8-11/h5-8,16H,4,9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide?
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide is sourced from PubChem (CID 65109665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).