ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium

C25H28N3O3+ — CID 7594329

IUPACethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1OC)CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-3-28(18-25(30)27-22-15-9-10-16-23(22)31-2)17-24(29)26-21-14-8-7-13-20(21)19-11-5-4-6-12-19/h4-16H,3,17-18H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeyCNKNJPXFMXFWCZ-UHFFFAOYSA-O
MW418.52 g/mol
LogP2.84
Rot. Bonds9

About ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium

ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium (PubChem CID 7594329) has the molecular formula C25H28N3O3+ and a molecular weight of 418.52 g/mol. Its IUPAC name is ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
PubChem CID7594329
Molecular FormulaC25H28N3O3+
Molecular Weight418.52 g/mol
Exact Mass418.21
IUPAC Nameethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1OC)CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-3-28(18-25(30)27-22-15-9-10-16-23(22)31-2)17-24(29)26-21-14-8-7-13-20(21)19-11-5-4-6-12-19/h4-16H,3,17-18H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeyCNKNJPXFMXFWCZ-UHFFFAOYSA-O
XLogP2.84
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.84
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-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 9080600
[2-(2,6-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 2535338
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029684
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029857
[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
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide
CID 112769408
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029443
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029622
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7999974

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The IUPAC name of ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium (CID 7594329) is ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium.
What is the SMILES notation for ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The canonical SMILES for ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium is CC[NH+](CC(=O)Nc1ccccc1OC)CC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
The InChIKey is CNKNJPXFMXFWCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H27N3O3/c1-3-28(18-25(30)27-22-15-9-10-16-23(22)31-2)17-24(29)26-21-14-8-7-13-20(21)19-11-5-4-6-12-19/h4-16H,3,17-18H2,1-2H3,(H,26,29)(H,27,30)/p+1.
What are the key properties of ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium?
ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium has a molecular weight of 418.52 g/mol, XLogP of 2.84, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium is sourced from PubChem (CID 7594329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).