N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide

C14H21NO5 — CID 103877168

IUPACN-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
SMILESCOCC(O)CCNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-18-9-10(16)6-7-15-14(17)12-5-4-11(19-2)8-13(12)20-3/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyJMWZJRSUZQQFCV-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.83
Rot. Bonds8

About N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide

N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide (PubChem CID 103877168) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
PubChem CID103877168
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
SMILESCOCC(O)CCNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-18-9-10(16)6-7-15-14(17)12-5-4-11(19-2)8-13(12)20-3/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyJMWZJRSUZQQFCV-UHFFFAOYSA-N
XLogP0.83
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
N-(4-chloropentyl)-2,4-dimethoxybenzamide
CID 106129758
5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide
CID 103877149
N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide
CID 60654650
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide
CID 121133086
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
CID 103876983

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide (CID 103877168) is N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide is COCC(O)CCNC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide?
The InChIKey is JMWZJRSUZQQFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-18-9-10(16)6-7-15-14(17)12-5-4-11(19-2)8-13(12)20-3/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,15,17).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide?
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide has a molecular weight of 283.32 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 103877168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).