[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium

C20H25ClN3O3+ — CID 9028002

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C20H24ClN3O3/c1-4-24(12-19(25)22-16-6-8-17(27-3)9-7-16)13-20(26)23-18-10-5-15(21)11-14(18)2/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)/p+1
InChIKeyNNWBFYQZPCYANH-UHFFFAOYSA-O
MW390.89 g/mol
LogP2.14
Rot. Bonds8

About [2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium

[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9028002) has the molecular formula C20H25ClN3O3+ and a molecular weight of 390.89 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9028002
Molecular FormulaC20H25ClN3O3+
Molecular Weight390.89 g/mol
Exact Mass390.16
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C20H24ClN3O3/c1-4-24(12-19(25)22-16-6-8-17(27-3)9-7-16)13-20(26)23-18-10-5-15(21)11-14(18)2/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)/p+1
InChIKeyNNWBFYQZPCYANH-UHFFFAOYSA-O
XLogP2.14
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9025808
benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8541608
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556032
N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
CID 108955190
1-(4-chloro-2-methylphenyl)-3-[[2-[(4-methoxyphenyl)carbamoylamino]acetyl]amino]urea
CID 4623605
6-N-(4-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100888
N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide
CID 108954023
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9027195
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780418
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium
CID 2442436
N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16548736
[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026269

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium (CID 9028002) is [2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is NNWBFYQZPCYANH-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24ClN3O3/c1-4-24(12-19(25)22-16-6-8-17(27-3)9-7-16)13-20(26)23-18-10-5-15(21)11-14(18)2/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium?
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 390.89 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9028002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).