ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium

C23H27N4O4+ — CID 9348413

IUPACethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1cc(-c2ccc(C)cc2)no1
InChIInChI=1S/C23H26N4O4/c1-4-27(14-21(28)24-18-9-11-19(30-3)12-10-18)15-22(29)25-23-13-20(26-31-23)17-7-5-16(2)6-8-17/h5-13H,4,14-15H2,1-3H3,(H,24,28)(H,25,29)/p+1
InChIKeyJCKGVOSDVADGPA-UHFFFAOYSA-O
MW423.49 g/mol
LogP2.14
Rot. Bonds9

About ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium

ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium (PubChem CID 9348413) has the molecular formula C23H27N4O4+ and a molecular weight of 423.49 g/mol. Its IUPAC name is ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
PubChem CID9348413
Molecular FormulaC23H27N4O4+
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Nameethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1cc(-c2ccc(C)cc2)no1
InChIInChI=1S/C23H26N4O4/c1-4-27(14-21(28)24-18-9-11-19(30-3)12-10-18)15-22(29)25-23-13-20(26-31-23)17-7-5-16(2)6-8-17/h5-13H,4,14-15H2,1-3H3,(H,24,28)(H,25,29)/p+1
InChIKeyJCKGVOSDVADGPA-UHFFFAOYSA-O
XLogP2.14
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7517994
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 9027389
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium
CID 2442436
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 3-methoxybenzoate
CID 7594594
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9028002
benzyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
CID 9346071
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
CID 9347968
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9027195
(2R)-2-(4-fluorophenoxy)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]butanamide
CID 40775968
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9348036
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42882464

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium?
The IUPAC name of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium (CID 9348413) is ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium?
The canonical SMILES for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1cc(-c2ccc(C)cc2)no1.
What is the InChIKey of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium?
The InChIKey is JCKGVOSDVADGPA-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26N4O4/c1-4-27(14-21(28)24-18-9-11-19(30-3)12-10-18)15-22(29)25-23-13-20(26-31-23)17-7-5-16(2)6-8-17/h5-13H,4,14-15H2,1-3H3,(H,24,28)(H,25,29)/p+1.
What are the key properties of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium?
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium has a molecular weight of 423.49 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9348413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).