[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium

C21H28N3O3+ — CID 9304175

IUPAC[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)CC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C21H27N3O3/c1-4-17-7-5-6-8-19(17)23-21(26)15-24(2)14-20(25)22-13-16-9-11-18(27-3)12-10-16/h5-12H,4,13-15H2,1-3H3,(H,22,25)(H,23,26)/p+1
InChIKeyHWOSTTWAJBORQX-UHFFFAOYSA-O
MW370.47 g/mol
LogP1.03
Rot. Bonds9

About [2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium

[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium (PubChem CID 9304175) has the molecular formula C21H28N3O3+ and a molecular weight of 370.47 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
PubChem CID9304175
Molecular FormulaC21H28N3O3+
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESCCc1ccccc1NC(=O)C[NH+](C)CC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C21H27N3O3/c1-4-17-7-5-6-8-19(17)23-21(26)15-24(2)14-20(25)22-13-16-9-11-18(27-3)12-10-16/h5-12H,4,13-15H2,1-3H3,(H,22,25)(H,23,26)/p+1
InChIKeyHWOSTTWAJBORQX-UHFFFAOYSA-O
XLogP1.03
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-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

1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222927
[2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9167203
[2-(2-ethylanilino)-2-oxoethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9304134
1-N-(2-ethylphenyl)-2-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136575
(4-ethoxyphenyl)methyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8695083
cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
CID 8770863
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797883
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 8816741
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium (CID 9304175) is [2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium is CCc1ccccc1NC(=O)C[NH+](C)CC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is HWOSTTWAJBORQX-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H27N3O3/c1-4-17-7-5-6-8-19(17)23-21(26)15-24(2)14-20(25)22-13-16-9-11-18(27-3)12-10-16/h5-12H,4,13-15H2,1-3H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium?
[2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium has a molecular weight of 370.47 g/mol, XLogP of 1.03, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9304175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).