2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate

C19H22N2O3 — CID 26667820

IUPAC2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate
SMILESO=C([O-])c1ccccc1NCc1ccccc1C[NH+]1CCOCC1
InChIInChI=1S/C19H22N2O3/c22-19(23)17-7-3-4-8-18(17)20-13-15-5-1-2-6-16(15)14-21-9-11-24-12-10-21/h1-8,20H,9-14H2,(H,22,23)
InChIKeyISVYXUJTAYEZAN-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.08
Rot. Bonds6

About 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate

2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate (PubChem CID 26667820) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate.

Molecular Properties

Compound Name2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate
PubChem CID26667820
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate
SMILESO=C([O-])c1ccccc1NCc1ccccc1C[NH+]1CCOCC1
InChIInChI=1S/C19H22N2O3/c22-19(23)17-7-3-4-8-18(17)20-13-15-5-1-2-6-16(15)14-21-9-11-24-12-10-21/h1-8,20H,9-14H2,(H,22,23)
InChIKeyISVYXUJTAYEZAN-UHFFFAOYSA-N
XLogP0.08
TPSA65.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate 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

N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 9209104
2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate
CID 7529614
2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481202
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 21175532
2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481262
4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481472
4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481322
(E)-3-(4-bromophenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481446
5-[(2-fluorophenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate
CID 44664453
1-cyclohexyl-3-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea
CID 9283884
2-(2-morpholin-4-ium-4-ylethoxycarbonyl)benzoate
CID 6942487
2-(pyridin-4-ylmethylamino)benzoate
CID 3280709

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate?
The IUPAC name of 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate (CID 26667820) is 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate.
What is the SMILES notation for 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate?
The canonical SMILES for 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate is O=C([O-])c1ccccc1NCc1ccccc1C[NH+]1CCOCC1.
What is the InChIKey of 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate?
The InChIKey is ISVYXUJTAYEZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(23)17-7-3-4-8-18(17)20-13-15-5-1-2-6-16(15)14-21-9-11-24-12-10-21/h1-8,20H,9-14H2,(H,22,23).
What are the key properties of 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate?
2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate has a molecular weight of 326.40 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate is sourced from PubChem (CID 26667820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).