[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium

C21H28N3O4+ — CID 9026269

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
SMILESCCOc1ccc(NC(=O)C[NH+](CC)CC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C21H27N3O4/c1-4-24(15-21(26)23-17-7-6-8-19(13-17)27-3)14-20(25)22-16-9-11-18(12-10-16)28-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)/p+1
InChIKeyLERDXINKDGWESN-UHFFFAOYSA-O
MW386.47 g/mol
LogP1.58
Rot. Bonds10

About [2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium

[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9026269) has the molecular formula C21H28N3O4+ and a molecular weight of 386.47 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9026269
Molecular FormulaC21H28N3O4+
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
SMILESCCOc1ccc(NC(=O)C[NH+](CC)CC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C21H27N3O4/c1-4-24(15-21(26)23-17-7-6-8-19(13-17)27-3)14-20(25)22-16-9-11-18(12-10-16)28-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)/p+1
InChIKeyLERDXINKDGWESN-UHFFFAOYSA-O
XLogP1.58
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 9025827
ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9025698
[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026504
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9025808
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8791293
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 8683436
2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 22300310
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 2226464
(2R)-N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679130
2-(4-bromophenoxy)ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9288794
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium (CID 9026269) is [2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium is CCOc1ccc(NC(=O)C[NH+](CC)CC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is LERDXINKDGWESN-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H27N3O4/c1-4-24(15-21(26)23-17-7-6-8-19(13-17)27-3)14-20(25)22-16-9-11-18(12-10-16)28-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 386.47 g/mol, XLogP of 1.58, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9026269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).