N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide

C15H23NO4 — CID 103819903

IUPACN-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(O)CC(C)C
InChIInChI=1S/C15H23NO4/c1-10(2)8-11(17)9-16-15(18)14-12(19-3)6-5-7-13(14)20-4/h5-7,10-11,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyUUMPLHAWYPKBTP-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.84
Rot. Bonds7

About N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide

N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide (PubChem CID 103819903) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide
PubChem CID103819903
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(O)CC(C)C
InChIInChI=1S/C15H23NO4/c1-10(2)8-11(17)9-16-15(18)14-12(19-3)6-5-7-13(14)20-4/h5-7,10-11,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyUUMPLHAWYPKBTP-UHFFFAOYSA-N
XLogP1.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
N-(2-hydroxypentyl)-2,6-dimethoxybenzamide
CID 115744628
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
N-(3-bromo-2-methylpropyl)-2,6-dimethoxybenzamide
CID 113275338
2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide
CID 107150571
2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide
CID 81420269
2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide
CID 111540038
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
N-(2-hydroxy-4-methylpentyl)-2-methoxy-3-nitrobenzamide
CID 107155337
N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
CID 103771486
N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide
CID 84579085
2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
CID 107151224

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide (CID 103819903) is N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC(O)CC(C)C.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide?
The InChIKey is UUMPLHAWYPKBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10(2)8-11(17)9-16-15(18)14-12(19-3)6-5-7-13(14)20-4/h5-7,10-11,17H,8-9H2,1-4H3,(H,16,18).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide?
N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 103819903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).