ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium

C23H30N3O5+ — CID 9027389

IUPACethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C23H29N3O5/c1-5-26(15-22(28)25-19-10-12-20(30-4)13-11-19)14-21(27)24-18-8-6-17(7-9-18)23(29)31-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)(H,25,28)/p+1
InChIKeyKAYLNLCGGOEGCS-UHFFFAOYSA-O
MW428.51 g/mol
LogP1.74
Rot. Bonds10

About ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium

ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium (PubChem CID 9027389) has the molecular formula C23H30N3O5+ and a molecular weight of 428.51 g/mol. Its IUPAC name is ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
PubChem CID9027389
Molecular FormulaC23H30N3O5+
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Nameethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C23H29N3O5/c1-5-26(15-22(28)25-19-10-12-20(30-4)13-11-19)14-21(27)24-18-8-6-17(7-9-18)23(29)31-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)(H,25,28)/p+1
InChIKeyKAYLNLCGGOEGCS-UHFFFAOYSA-O
XLogP1.74
TPSA98.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 9025827
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9027195
benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541556
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium
CID 2442436
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222883
propan-2-yl 4-[[2-[2-(4-methoxyphenyl)sulfanylacetyl]oxyacetyl]amino]benzoate
CID 8551114
[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026269
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
CID 9348413
2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
CID 60662033
propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate
CID 108807279

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
The IUPAC name of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium (CID 9027389) is ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium.
What is the SMILES notation for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
The canonical SMILES for ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium is CC[NH+](CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
The InChIKey is KAYLNLCGGOEGCS-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H29N3O5/c1-5-26(15-22(28)25-19-10-12-20(30-4)13-11-19)14-21(27)24-18-8-6-17(7-9-18)23(29)31-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)(H,25,28)/p+1.
What are the key properties of ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium?
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium has a molecular weight of 428.51 g/mol, XLogP of 1.74, 10 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-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium is sourced from PubChem (CID 9027389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).