[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium

C18H26N3O5+ — CID 8711432

IUPAC[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
SMILESCCOC(=O)c1ccc(NC(=O)C[NH+](C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H25N3O5/c1-3-26-18(24)14-4-6-15(7-5-14)19-16(22)12-20(2)13-17(23)21-8-10-25-11-9-21/h4-7H,3,8-13H2,1-2H3,(H,19,22)/p+1
InChIKeyFBVXKIUBYPTHOF-UHFFFAOYSA-O
MW364.42 g/mol
LogP-0.82
Rot. Bonds7

About [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium

[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium (PubChem CID 8711432) has the molecular formula C18H26N3O5+ and a molecular weight of 364.42 g/mol. Its IUPAC name is [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium.

Molecular Properties

Compound Name[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
PubChem CID8711432
Molecular FormulaC18H26N3O5+
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC Name[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
SMILESCCOC(=O)c1ccc(NC(=O)C[NH+](C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H25N3O5/c1-3-26-18(24)14-4-6-15(7-5-14)19-16(22)12-20(2)13-17(23)21-8-10-25-11-9-21/h4-7H,3,8-13H2,1-2H3,(H,19,22)/p+1
InChIKeyFBVXKIUBYPTHOF-UHFFFAOYSA-O
XLogP-0.82
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8588773
methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
CID 8711428
ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
CID 2250451
[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711576
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222883
methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108943555
ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109133425
[2-(3,5-dichloroanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711406
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711400
[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711752
methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8693187
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]azanium
CID 8588118

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
The IUPAC name of [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium (CID 8711432) is [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium.
What is the SMILES notation for [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
The canonical SMILES for [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium is CCOC(=O)c1ccc(NC(=O)C[NH+](C)CC(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
The InChIKey is FBVXKIUBYPTHOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O5/c1-3-26-18(24)14-4-6-15(7-5-14)19-16(22)12-20(2)13-17(23)21-8-10-25-11-9-21/h4-7H,3,8-13H2,1-2H3,(H,19,22)/p+1.
What are the key properties of [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium has a molecular weight of 364.42 g/mol, XLogP of -0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium is sourced from PubChem (CID 8711432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).