N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide

C13H19NO4 — CID 81055541

IUPACN-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C13H19NO4/c1-4-18-8-7-14(2)13(16)11-9-10(17-3)5-6-12(11)15/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyZMUFVKLGIOOKMW-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.51
Rot. Bonds6

About N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide

N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide (PubChem CID 81055541) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
PubChem CID81055541
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C13H19NO4/c1-4-18-8-7-14(2)13(16)11-9-10(17-3)5-6-12(11)15/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyZMUFVKLGIOOKMW-UHFFFAOYSA-N
XLogP1.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide
CID 81056379
N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63699177
N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 107205727
2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
CID 31284888
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
CID 82983680
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944
4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
CID 81055002
N-(2-bromo-3-methoxypropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 80678585
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 60792619
N-(1-bromo-2-methylpropan-2-yl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 113476640
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
CID 114242556

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide?
The IUPAC name of N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide (CID 81055541) is N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide is CCOCCN(C)C(=O)c1cc(OC)ccc1O.
What is the InChIKey of N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide?
The InChIKey is ZMUFVKLGIOOKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-18-8-7-14(2)13(16)11-9-10(17-3)5-6-12(11)15/h5-6,9,15H,4,7-8H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide?
N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 81055541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).