N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide

C14H21NO2 — CID 113240365

IUPACN-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
SMILESCCCC(C)(O)CNC(=O)c1ccccc1C
InChIInChI=1S/C14H21NO2/c1-4-9-14(3,17)10-15-13(16)12-8-6-5-7-11(12)2/h5-8,17H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyDFTHWHNOVONGJY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.28
Rot. Bonds5

About N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide

N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide (PubChem CID 113240365) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
PubChem CID113240365
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
SMILESCCCC(C)(O)CNC(=O)c1ccccc1C
InChIInChI=1S/C14H21NO2/c1-4-9-14(3,17)10-15-13(16)12-8-6-5-7-11(12)2/h5-8,17H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyDFTHWHNOVONGJY-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
CID 90498445
2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide
CID 103713016
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113363841
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylbenzamide
CID 121085663
(E)-N-(2-hydroxy-2-methylpentyl)-3-(2-methylphenyl)prop-2-enamide
CID 103712889
N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide
CID 103712986
N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103712960
4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 103760453
N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718353
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide (CID 113240365) is N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide is CCCC(C)(O)CNC(=O)c1ccccc1C.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide?
The InChIKey is DFTHWHNOVONGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-9-14(3,17)10-15-13(16)12-8-6-5-7-11(12)2/h5-8,17H,4,9-10H2,1-3H3,(H,15,16).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide?
N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide is sourced from PubChem (CID 113240365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).