ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium

C17H26N3O4+ — CID 9432990

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)NCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H25N3O4/c1-4-18-15(21)11-20(5-2)12-16(22)19-10-13-6-8-14(9-7-13)17(23)24-3/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)(H,19,22)/p+1
InChIKeyGYVQCZVVIRXKKQ-UHFFFAOYSA-O
MW336.41 g/mol
LogP-0.87
Rot. Bonds9

About ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 9432990) has the molecular formula C17H26N3O4+ and a molecular weight of 336.41 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
PubChem CID9432990
Molecular FormulaC17H26N3O4+
Molecular Weight336.41 g/mol
Exact Mass336.19
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)NCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H25N3O4/c1-4-18-15(21)11-20(5-2)12-16(22)19-10-13-6-8-14(9-7-13)17(23)24-3/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)(H,19,22)/p+1
InChIKeyGYVQCZVVIRXKKQ-UHFFFAOYSA-O
XLogP-0.87
TPSA88.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium
CID 8682443
methyl 4-[[[2-(propan-2-ylamino)acetyl]amino]methyl]benzoate
CID 60641043
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964210
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
[2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195545
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 8904931
[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907146
methyl 4-[[[2-(azepan-1-ium-1-yl)acetyl]amino]methyl]benzoate
CID 8896036
5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62964014
methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
CID 163207822
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium
CID 8779933

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium (CID 9432990) is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)NCc1ccc(C(=O)OC)cc1.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is GYVQCZVVIRXKKQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3O4/c1-4-18-15(21)11-20(5-2)12-16(22)19-10-13-6-8-14(9-7-13)17(23)24-3/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)(H,19,22)/p+1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 336.41 g/mol, XLogP of -0.87, 9 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-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9432990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).