N-(2-hydroxypropyl)-2,6-dimethoxybenzamide

C12H17NO4 — CID 43501194

IUPACN-(2-hydroxypropyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(C)O
InChIInChI=1S/C12H17NO4/c1-8(14)7-13-12(15)11-9(16-2)5-4-6-10(11)17-3/h4-6,8,14H,7H2,1-3H3,(H,13,15)
InChIKeyCMXAGMBLZKKHSE-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.81
Rot. Bonds5

About N-(2-hydroxypropyl)-2,6-dimethoxybenzamide

N-(2-hydroxypropyl)-2,6-dimethoxybenzamide (PubChem CID 43501194) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2,6-dimethoxybenzamide
PubChem CID43501194
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(2-hydroxypropyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(C)O
InChIInChI=1S/C12H17NO4/c1-8(14)7-13-12(15)11-9(16-2)5-4-6-10(11)17-3/h4-6,8,14H,7H2,1-3H3,(H,13,15)
InChIKeyCMXAGMBLZKKHSE-UHFFFAOYSA-N
XLogP0.81
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide
CID 83058004
N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide
CID 103819903
N-(3-bromo-2-methylpropyl)-2,6-dimethoxybenzamide
CID 113275338
N-(2-hydroxypentyl)-2,6-dimethoxybenzamide
CID 115744628
1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea
CID 108867914
2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide
CID 111540038
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide
CID 84579085
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(2-hydroxypropyl)-2,6-dimethoxybenzamide (CID 43501194) is N-(2-hydroxypropyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(2-hydroxypropyl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-2,6-dimethoxybenzamide?
The InChIKey is CMXAGMBLZKKHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(14)7-13-12(15)11-9(16-2)5-4-6-10(11)17-3/h4-6,8,14H,7H2,1-3H3,(H,13,15).
What are the key properties of N-(2-hydroxypropyl)-2,6-dimethoxybenzamide?
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide has a molecular weight of 239.27 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 43501194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).