[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium

C20H25ClN3O3+ — CID 9029622

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCc1ccccc1Cl)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C20H24ClN3O3/c1-3-24(13-19(25)22-12-15-8-4-5-9-16(15)21)14-20(26)23-17-10-6-7-11-18(17)27-2/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyCBGGPDXDJZOPMJ-UHFFFAOYSA-O
MW390.89 g/mol
LogP1.51
Rot. Bonds9

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9029622) has the molecular formula C20H25ClN3O3+ and a molecular weight of 390.89 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9029622
Molecular FormulaC20H25ClN3O3+
Molecular Weight390.89 g/mol
Exact Mass390.16
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCc1ccccc1Cl)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C20H24ClN3O3/c1-3-24(13-19(25)22-12-15-8-4-5-9-16(15)21)14-20(26)23-17-10-6-7-11-18(17)27-2/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyCBGGPDXDJZOPMJ-UHFFFAOYSA-O
XLogP1.51
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498
[2-(2,5-dichloroanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029618
ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 7594329
[2-(2,6-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 2535338
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029684
N-[(2-chlorophenyl)methyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108946630
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029341
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029857
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 8025166
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9222379
[2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2506879

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium (CID 9029622) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)NCc1ccccc1Cl)CC(=O)Nc1ccccc1OC.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is CBGGPDXDJZOPMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24ClN3O3/c1-3-24(13-19(25)22-12-15-8-4-5-9-16(15)21)14-20(26)23-17-10-6-7-11-18(17)27-2/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 390.89 g/mol, XLogP of 1.51, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9029622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).