[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium

C20H25ClN3O3+ — CID 8779437

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium
SMILESCC[NH+](CCOc1ccccc1Cl)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24ClN3O3/c1-3-24(12-13-27-19-7-5-4-6-18(19)21)14-20(26)23-17-10-8-16(9-11-17)22-15(2)25/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyCUSMTBHMFSXZBG-UHFFFAOYSA-O
MW390.89 g/mol
LogP2.22
Rot. Bonds9

About [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium

[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium (PubChem CID 8779437) has the molecular formula C20H25ClN3O3+ and a molecular weight of 390.89 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium
PubChem CID8779437
Molecular FormulaC20H25ClN3O3+
Molecular Weight390.89 g/mol
Exact Mass390.16
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium
SMILESCC[NH+](CCOc1ccccc1Cl)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24ClN3O3/c1-3-24(12-13-27-19-7-5-4-6-18(19)21)14-20(26)23-17-10-8-16(9-11-17)22-15(2)25/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyCUSMTBHMFSXZBG-UHFFFAOYSA-O
XLogP2.22
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium with MolForge

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Related Compounds

bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide
CID 8819472
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
CID 8779879
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium
CID 8791356
5-(2-chlorophenoxy)pentyl-diethylazanium
CID 2232789
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2470771
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium
CID 8779933
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium (CID 8779437) is [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium is CC[NH+](CCOc1ccccc1Cl)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium?
The InChIKey is CUSMTBHMFSXZBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24ClN3O3/c1-3-24(12-13-27-19-7-5-4-6-18(19)21)14-20(26)23-17-10-8-16(9-11-17)22-15(2)25/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium has a molecular weight of 390.89 g/mol, XLogP of 2.22, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium is sourced from PubChem (CID 8779437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).