N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide

C15H23NO3 — CID 103712986

IUPACN-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide
SMILESCCCC(C)(O)CNC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C15H23NO3/c1-5-8-15(3,18)10-16-14(17)12-9-11(2)6-7-13(12)19-4/h6-7,9,18H,5,8,10H2,1-4H3,(H,16,17)
InChIKeyASXREGLMUHKWPL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.28
Rot. Bonds6

About N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide

N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide (PubChem CID 103712986) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide
PubChem CID103712986
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide
SMILESCCCC(C)(O)CNC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C15H23NO3/c1-5-8-15(3,18)10-16-14(17)12-9-11(2)6-7-13(12)19-4/h6-7,9,18H,5,8,10H2,1-4H3,(H,16,17)
InChIKeyASXREGLMUHKWPL-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 66001346
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide
CID 103843624
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
CID 103712693
3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
CID 103713122
2-amino-N-(2-hydroxy-2-methylpentyl)-5-methoxybenzamide
CID 106289273
N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 113240365
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid
CID 66166052
N-(2-aminopentyl)-2-methoxy-5-methylbenzamide
CID 115737842
N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide
CID 66168188
2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 64994334
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide (CID 103712986) is N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide is CCCC(C)(O)CNC(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide?
The InChIKey is ASXREGLMUHKWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-8-15(3,18)10-16-14(17)12-9-11(2)6-7-13(12)19-4/h6-7,9,18H,5,8,10H2,1-4H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide?
N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide has a molecular weight of 265.35 g/mol, XLogP of 2.28, 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-methylpentyl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 103712986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).