N-(2-methoxyethyl)-N,3,4-trimethylbenzamide

C13H19NO2 — CID 130399829

IUPACN-(2-methoxyethyl)-N,3,4-trimethylbenzamide
SMILESCOCCN(C)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H19NO2/c1-10-5-6-12(9-11(10)2)13(15)14(3)7-8-16-4/h5-6,9H,7-8H2,1-4H3
InChIKeyPWROSHRRIRBMNK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds4

About N-(2-methoxyethyl)-N,3,4-trimethylbenzamide

N-(2-methoxyethyl)-N,3,4-trimethylbenzamide (PubChem CID 130399829) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N,3,4-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N,3,4-trimethylbenzamide
PubChem CID130399829
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-methoxyethyl)-N,3,4-trimethylbenzamide
SMILESCOCCN(C)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H19NO2/c1-10-5-6-12(9-11(10)2)13(15)14(3)7-8-16-4/h5-6,9H,7-8H2,1-4H3
InChIKeyPWROSHRRIRBMNK-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370990
(E)-3-[5-[2-methoxyethyl(methyl)carbamoyl]-2-methylphenyl]prop-2-enoic acid
CID 81487848
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N,4-dimethylbenzamide
CID 81476949
N-(2-cyanoethyl)-N,3,4-trimethylbenzamide
CID 2215664
3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 103706992
3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
CID 61072173
N-(2-methoxyethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103764343
4-[2-methoxyethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112555193
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
CID 61040721
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide
CID 70333198

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N,3,4-trimethylbenzamide?
The IUPAC name of N-(2-methoxyethyl)-N,3,4-trimethylbenzamide (CID 130399829) is N-(2-methoxyethyl)-N,3,4-trimethylbenzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N,3,4-trimethylbenzamide?
The canonical SMILES for N-(2-methoxyethyl)-N,3,4-trimethylbenzamide is COCCN(C)C(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-N,3,4-trimethylbenzamide?
The InChIKey is PWROSHRRIRBMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-5-6-12(9-11(10)2)13(15)14(3)7-8-16-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N,3,4-trimethylbenzamide?
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N,3,4-trimethylbenzamide is sourced from PubChem (CID 130399829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).