N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide

C15H23NO3 — CID 111447086

IUPACN-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC(C)CC(C)O)ccc1C
InChIInChI=1S/C15H23NO3/c1-10(7-12(3)17)9-16-15(18)13-6-5-11(2)14(8-13)19-4/h5-6,8,10,12,17H,7,9H2,1-4H3,(H,16,18)
InChIKeyAIMXHEPOHCAHJG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds6

About N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide

N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide (PubChem CID 111447086) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide
PubChem CID111447086
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC(C)CC(C)O)ccc1C
InChIInChI=1S/C15H23NO3/c1-10(7-12(3)17)9-16-15(18)13-6-5-11(2)14(8-13)19-4/h5-6,8,10,12,17H,7,9H2,1-4H3,(H,16,18)
InChIKeyAIMXHEPOHCAHJG-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 111447266
N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
CID 93033692
3-methoxy-4-methyl-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441342
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
3-[[(3-methoxy-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81064154
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
4-(3,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
CID 111447209

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide (CID 111447086) is N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NCC(C)CC(C)O)ccc1C.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide?
The InChIKey is AIMXHEPOHCAHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(7-12(3)17)9-16-15(18)13-6-5-11(2)14(8-13)19-4/h5-6,8,10,12,17H,7,9H2,1-4H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide?
N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide has a molecular weight of 265.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 111447086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).