4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide

C13H20N2O3 — CID 113467625

IUPAC4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
SMILESCOCCN(CCO)C(=O)c1ccc(N)cc1C
InChIInChI=1S/C13H20N2O3/c1-10-9-11(14)3-4-12(10)13(17)15(5-7-16)6-8-18-2/h3-4,9,16H,5-8,14H2,1-2H3
InChIKeyLYAPOJRAKJOJFL-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.66
Rot. Bonds6

About 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide

4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide (PubChem CID 113467625) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
PubChem CID113467625
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
SMILESCOCCN(CCO)C(=O)c1ccc(N)cc1C
InChIInChI=1S/C13H20N2O3/c1-10-9-11(14)3-4-12(10)13(17)15(5-7-16)6-8-18-2/h3-4,9,16H,5-8,14H2,1-2H3
InChIKeyLYAPOJRAKJOJFL-UHFFFAOYSA-N
XLogP0.66
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113468064
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113351116
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 115902345
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120623191
4-hydroxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902414
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513
5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
CID 82959703
4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide
CID 113467671
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-(2-methoxyethyl)amino]acetate
CID 103863690

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide (CID 113467625) is 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide is COCCN(CCO)C(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide?
The InChIKey is LYAPOJRAKJOJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-9-11(14)3-4-12(10)13(17)15(5-7-16)6-8-18-2/h3-4,9,16H,5-8,14H2,1-2H3.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide?
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide has a molecular weight of 252.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide is sourced from PubChem (CID 113467625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).