[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium

C21H28N3O3+ — CID 9029684

IUPAC[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cc(C)cc(C)c1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C21H27N3O3/c1-5-24(13-20(25)22-17-11-15(2)10-16(3)12-17)14-21(26)23-18-8-6-7-9-19(18)27-4/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)/p+1
InChIKeyBWLIUKZDIWLFSR-UHFFFAOYSA-O
MW370.47 g/mol
LogP1.79
Rot. Bonds8

About [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium

[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9029684) has the molecular formula C21H28N3O3+ and a molecular weight of 370.47 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9029684
Molecular FormulaC21H28N3O3+
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1cc(C)cc(C)c1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C21H27N3O3/c1-5-24(13-20(25)22-17-11-15(2)10-16(3)12-17)14-21(26)23-18-8-6-7-9-19(18)27-4/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)/p+1
InChIKeyBWLIUKZDIWLFSR-UHFFFAOYSA-O
XLogP1.79
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498
[2-(2,6-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 2535338
[2-(2,5-dichloroanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029618
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 8025166
ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 7594329
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029857
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029622
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029443
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
CID 9168816
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7999974
benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541687
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029341

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium (CID 9029684) is [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1cc(C)cc(C)c1)CC(=O)Nc1ccccc1OC.
What is the InChIKey of [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is BWLIUKZDIWLFSR-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H27N3O3/c1-5-24(13-20(25)22-17-11-15(2)10-16(3)12-17)14-21(26)23-18-8-6-7-9-19(18)27-4/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium?
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 370.47 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9029684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).