5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide

C13H19NO3 — CID 70333198

IUPAC5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide
SMILESCOCCN(C)C(=O)c1cc(CO)ccc1C
InChIInChI=1S/C13H19NO3/c1-10-4-5-11(9-15)8-12(10)13(16)14(2)6-7-17-3/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyXLADKCUPARKVNF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.21
Rot. Bonds5

About 5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide

5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide (PubChem CID 70333198) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide
PubChem CID70333198
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide
SMILESCOCCN(C)C(=O)c1cc(CO)ccc1C
InChIInChI=1S/C13H19NO3/c1-10-4-5-11(9-15)8-12(10)13(16)14(2)6-7-17-3/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyXLADKCUPARKVNF-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide
CID 47468920
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287
[3-(2-methoxyethoxy)-4-methylphenyl]methanol
CID 118408450
2-bromo-1-[5-(hydroxymethyl)-2-methylphenyl]propan-1-one
CID 131216691
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
CID 61040721
2-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-N,5-dimethylbenzamide
CID 81111937
5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370990
N-(2-methoxyethyl)-N,2,3-trimethyl-5-sulfamoylbenzamide
CID 65387633
N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107023651
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113351116

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide?
The IUPAC name of 5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide (CID 70333198) is 5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide is COCCN(C)C(=O)c1cc(CO)ccc1C.
What is the InChIKey of 5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide?
The InChIKey is XLADKCUPARKVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-4-5-11(9-15)8-12(10)13(16)14(2)6-7-17-3/h4-5,8,15H,6-7,9H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide?
5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 70333198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).