2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide

C13H20N2O4 — CID 54994939

IUPAC2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1cc(OC)ccc1N
InChIInChI=1S/C13H20N2O4/c1-15(7-9(16)8-18-2)13(17)11-6-10(19-3)4-5-12(11)14/h4-6,9,16H,7-8,14H2,1-3H3
InChIKeyFULHTGQVGGPWOD-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.36
Rot. Bonds6

About 2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide

2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide (PubChem CID 54994939) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
PubChem CID54994939
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1cc(OC)ccc1N
InChIInChI=1S/C13H20N2O4/c1-15(7-9(16)8-18-2)13(17)11-6-10(19-3)4-5-12(11)14/h4-6,9,16H,7-8,14H2,1-3H3
InChIKeyFULHTGQVGGPWOD-UHFFFAOYSA-N
XLogP0.36
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54904342
2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 113347205
N-(2-bromo-3-methoxypropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 80678585
5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994795
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide
CID 54878508
2-amino-5-methoxy-N-methyl-N-(2-phenylethyl)benzamide
CID 61110256
2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913718
3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994745
3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide
CID 95972002
2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide
CID 54878406
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 107477866

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide?
The IUPAC name of 2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide (CID 54994939) is 2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide is COCC(O)CN(C)C(=O)c1cc(OC)ccc1N.
What is the InChIKey of 2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide?
The InChIKey is FULHTGQVGGPWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-15(7-9(16)8-18-2)13(17)11-6-10(19-3)4-5-12(11)14/h4-6,9,16H,7-8,14H2,1-3H3.
What are the key properties of 2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide?
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide has a molecular weight of 268.31 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 54994939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).