ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium

C18H29N4O4+ — CID 8683436

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)N(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C18H28N4O4/c1-5-19-16(23)12-22(6-2)13-18(25)21(3)11-17(24)20-14-8-7-9-15(10-14)26-4/h7-10H,5-6,11-13H2,1-4H3,(H,19,23)(H,20,24)/p+1
InChIKeyXTDIVUFERHIWHT-UHFFFAOYSA-O
MW365.45 g/mol
LogP-0.87
Rot. Bonds10

About ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium (PubChem CID 8683436) has the molecular formula C18H29N4O4+ and a molecular weight of 365.45 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
PubChem CID8683436
Molecular FormulaC18H29N4O4+
Molecular Weight365.45 g/mol
Exact Mass365.22
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)N(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C18H28N4O4/c1-5-19-16(23)12-22(6-2)13-18(25)21(3)11-17(24)20-14-8-7-9-15(10-14)26-4/h7-10H,5-6,11-13H2,1-4H3,(H,19,23)(H,20,24)/p+1
InChIKeyXTDIVUFERHIWHT-UHFFFAOYSA-O
XLogP-0.87
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(diethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium
CID 8692876
[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026269
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9433348
ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9025698
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
5-bromo-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 26618232
[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026504

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium (CID 8683436) is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)N(C)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The InChIKey is XTDIVUFERHIWHT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N4O4/c1-5-19-16(23)12-22(6-2)13-18(25)21(3)11-17(24)20-14-8-7-9-15(10-14)26-4/h7-10H,5-6,11-13H2,1-4H3,(H,19,23)(H,20,24)/p+1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium has a molecular weight of 365.45 g/mol, XLogP of -0.87, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8683436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).