ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium

C19H31N4O3+ — CID 9433348

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)N(C)CC(=O)Nc1ccccc1CC
InChIInChI=1S/C19H30N4O3/c1-5-15-10-8-9-11-16(15)21-18(25)12-22(4)19(26)14-23(7-3)13-17(24)20-6-2/h8-11H,5-7,12-14H2,1-4H3,(H,20,24)(H,21,25)/p+1
InChIKeyHBPMMYJCLBSSEU-UHFFFAOYSA-O
MW363.48 g/mol
LogP-0.31
Rot. Bonds10

About ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium (PubChem CID 9433348) has the molecular formula C19H31N4O3+ and a molecular weight of 363.48 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
PubChem CID9433348
Molecular FormulaC19H31N4O3+
Molecular Weight363.48 g/mol
Exact Mass363.24
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)N(C)CC(=O)Nc1ccccc1CC
InChIInChI=1S/C19H30N4O3/c1-5-15-10-8-9-11-16(15)21-18(25)12-22(4)19(26)14-23(7-3)13-17(24)20-6-2/h8-11H,5-7,12-14H2,1-4H3,(H,20,24)(H,21,25)/p+1
InChIKeyHBPMMYJCLBSSEU-UHFFFAOYSA-O
XLogP-0.31
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906695
N-(2-ethylphenyl)-2-[methyl-(2-phenoxyacetyl)amino]acetamide
CID 8699505
2-cyclopentyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 51146982
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 51181026
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 46450100
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 86979939
[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 8683368
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-morpholin-4-ium-4-ylacetamide
CID 8903823
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)propanamide
CID 51167467

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium (CID 9433348) is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)N(C)CC(=O)Nc1ccccc1CC.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The InChIKey is HBPMMYJCLBSSEU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H30N4O3/c1-5-15-10-8-9-11-16(15)21-18(25)12-22(4)19(26)14-23(7-3)13-17(24)20-6-2/h8-11H,5-7,12-14H2,1-4H3,(H,20,24)(H,21,25)/p+1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium has a molecular weight of 363.48 g/mol, XLogP of -0.31, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9433348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).