[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium

C21H27N2O4+ — CID 8805336

IUPAC[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
SMILESCCOC(=O)c1ccc(NC(=O)C[NH+](C)Cc2cc(C)ccc2OC)cc1
InChIInChI=1S/C21H26N2O4/c1-5-27-21(25)16-7-9-18(10-8-16)22-20(24)14-23(3)13-17-12-15(2)6-11-19(17)26-4/h6-12H,5,13-14H2,1-4H3,(H,22,24)/p+1
InChIKeyLAEVONCZABBDBB-UHFFFAOYSA-O
MW371.46 g/mol
LogP1.83
Rot. Bonds8

About [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium

[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium (PubChem CID 8805336) has the molecular formula C21H27N2O4+ and a molecular weight of 371.46 g/mol. Its IUPAC name is [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
PubChem CID8805336
Molecular FormulaC21H27N2O4+
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
SMILESCCOC(=O)c1ccc(NC(=O)C[NH+](C)Cc2cc(C)ccc2OC)cc1
InChIInChI=1S/C21H26N2O4/c1-5-27-21(25)16-7-9-18(10-8-16)22-20(24)14-23(3)13-17-12-15(2)6-11-19(17)26-4/h6-12H,5,13-14H2,1-4H3,(H,22,24)/p+1
InChIKeyLAEVONCZABBDBB-UHFFFAOYSA-O
XLogP1.83
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium 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-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 9040057
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8641842
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222883
(5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588168
(5-bromo-2-methoxyphenyl)methyl-[2-(4-carbamoylanilino)-2-oxoethyl]-methylazanium
CID 2657721
[2-(4-carbamoylanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9136506
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 8805412
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805430
ethyl 4-[[3-(3,4-dimethoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108956010
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8552175
methyl 4-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8805335
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]azanium
CID 8588118

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The IUPAC name of [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium (CID 8805336) is [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The canonical SMILES for [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium is CCOC(=O)c1ccc(NC(=O)C[NH+](C)Cc2cc(C)ccc2OC)cc1.
What is the InChIKey of [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
The InChIKey is LAEVONCZABBDBB-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26N2O4/c1-5-27-21(25)16-7-9-18(10-8-16)22-20(24)14-23(3)13-17-12-15(2)6-11-19(17)26-4/h6-12H,5,13-14H2,1-4H3,(H,22,24)/p+1.
What are the key properties of [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium?
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium has a molecular weight of 371.46 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium is sourced from PubChem (CID 8805336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).