2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide

C14H21NO4 — CID 103819096

IUPAC2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)CC(C)C)c(O)c1
InChIInChI=1S/C14H21NO4/c1-9(2)6-10(16)8-15-14(18)12-5-4-11(19-3)7-13(12)17/h4-5,7,9-10,16-17H,6,8H2,1-3H3,(H,15,18)
InChIKeyWVISTOOTOVIFEQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.54
Rot. Bonds6

About 2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide

2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide (PubChem CID 103819096) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide
PubChem CID103819096
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)CC(C)C)c(O)c1
InChIInChI=1S/C14H21NO4/c1-9(2)6-10(16)8-15-14(18)12-5-4-11(19-3)7-13(12)17/h4-5,7,9-10,16-17H,6,8H2,1-3H3,(H,15,18)
InChIKeyWVISTOOTOVIFEQ-UHFFFAOYSA-N
XLogP1.54
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide
CID 64540805
4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103819904
N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
CID 107261323
2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 115302649
3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 114144207
2-hydroxy-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43050142
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide
CID 115604496
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-4-methoxybenzamide
CID 106116218
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide (CID 103819096) is 2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide is COc1ccc(C(=O)NCC(O)CC(C)C)c(O)c1.
What is the InChIKey of 2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide?
The InChIKey is WVISTOOTOVIFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(2)6-10(16)8-15-14(18)12-5-4-11(19-3)7-13(12)17/h4-5,7,9-10,16-17H,6,8H2,1-3H3,(H,15,18).
What are the key properties of 2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide?
2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide has a molecular weight of 267.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide is sourced from PubChem (CID 103819096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).