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

C21H26FN4O4+ — CID 9025698

IUPACethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCC(=O)Nc1ccc(F)cc1)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C21H25FN4O4/c1-3-26(14-21(29)25-17-5-4-6-18(11-17)30-2)13-20(28)23-12-19(27)24-16-9-7-15(22)8-10-16/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,29)/p+1
InChIKeyNHIGRHFSFBEYGJ-UHFFFAOYSA-O
MW417.46 g/mol
LogP0.43
Rot. Bonds10

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

ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9025698) has the molecular formula C21H26FN4O4+ and a molecular weight of 417.46 g/mol. Its IUPAC name is ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9025698
Molecular FormulaC21H26FN4O4+
Molecular Weight417.46 g/mol
Exact Mass417.19
IUPAC Nameethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCC(=O)Nc1ccc(F)cc1)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C21H25FN4O4/c1-3-26(14-21(29)25-17-5-4-6-18(11-17)30-2)13-20(28)23-12-19(27)24-16-9-7-15(22)8-10-16/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,29)/p+1
InChIKeyNHIGRHFSFBEYGJ-UHFFFAOYSA-O
XLogP0.43
TPSA100.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]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

[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026269
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9025808
ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 9025827
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8791293
ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349411
[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026504
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 8683436
N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 112998618
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761118

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium (CID 9025698) is ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)NCC(=O)Nc1ccc(F)cc1)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is NHIGRHFSFBEYGJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25FN4O4/c1-3-26(14-21(29)25-17-5-4-6-18(11-17)30-2)13-20(28)23-12-19(27)24-16-9-7-15(22)8-10-16/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,29)/p+1.
What are the key properties of ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 417.46 g/mol, XLogP of 0.43, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9025698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).