2,6-dimethoxy-N-(2-methoxyethyl)benzamide

C12H17NO4 — CID 4128287

IUPAC2,6-dimethoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C12H17NO4/c1-15-8-7-13-12(14)11-9(16-2)5-4-6-10(11)17-3/h4-6H,7-8H2,1-3H3,(H,13,14)
InChIKeyULJJEWKVOFYHHQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.08
Rot. Bonds6

About 2,6-dimethoxy-N-(2-methoxyethyl)benzamide

2,6-dimethoxy-N-(2-methoxyethyl)benzamide (PubChem CID 4128287) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(2-methoxyethyl)benzamide
PubChem CID4128287
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2,6-dimethoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C12H17NO4/c1-15-8-7-13-12(14)11-9(16-2)5-4-6-10(11)17-3/h4-6H,7-8H2,1-3H3,(H,13,14)
InChIKeyULJJEWKVOFYHHQ-UHFFFAOYSA-N
XLogP1.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
2,4,6-trimethoxy-N-(2-methoxyethyl)benzamide
CID 110764617
2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101223
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
CID 108867809
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277
2-hydroxy-6-methoxy-N-propylbenzamide
CID 84579124
N-(3-cyanopropyl)-2,6-dimethoxybenzamide
CID 62666063
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 59001680
2,6-dimethoxybenzohydrazide
CID 2806104

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(2-methoxyethyl)benzamide (CID 4128287) is 2,6-dimethoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1c(OC)cccc1OC.
What is the InChIKey of 2,6-dimethoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is ULJJEWKVOFYHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-15-8-7-13-12(14)11-9(16-2)5-4-6-10(11)17-3/h4-6H,7-8H2,1-3H3,(H,13,14).
What are the key properties of 2,6-dimethoxy-N-(2-methoxyethyl)benzamide?
2,6-dimethoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 239.27 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 4128287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).