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

C16H24N3O3+ — CID 8588773

IUPACmethyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-13-3-5-14(6-4-13)17-15(20)11-18(2)12-16(21)19-7-9-22-10-8-19/h3-6H,7-12H2,1-2H3,(H,17,20)/p+1
InChIKeyGLBYOEXGJSQRET-UHFFFAOYSA-O
MW306.39 g/mol
LogP-0.69
Rot. Bonds5

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

methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium (PubChem CID 8588773) has the molecular formula C16H24N3O3+ and a molecular weight of 306.39 g/mol. Its IUPAC name is methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium.

Molecular Properties

Compound Namemethyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
PubChem CID8588773
Molecular FormulaC16H24N3O3+
Molecular Weight306.39 g/mol
Exact Mass306.18
IUPAC Namemethyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-13-3-5-14(6-4-13)17-15(20)11-18(2)12-16(21)19-7-9-22-10-8-19/h3-6H,7-12H2,1-2H3,(H,17,20)/p+1
InChIKeyGLBYOEXGJSQRET-UHFFFAOYSA-O
XLogP-0.69
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
CID 8711428
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711432
[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711752
[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711576
[2-(3,5-dichloroanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711406
methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8693187
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711400
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839
methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711560
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 9254499
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium
CID 8593005

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium?
The IUPAC name of methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium (CID 8588773) is methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium.
What is the SMILES notation for methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium?
The canonical SMILES for methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium is Cc1ccc(NC(=O)C[NH+](C)CC(=O)N2CCOCC2)cc1.
What is the InChIKey of methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium?
The InChIKey is GLBYOEXGJSQRET-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23N3O3/c1-13-3-5-14(6-4-13)17-15(20)11-18(2)12-16(21)19-7-9-22-10-8-19/h3-6H,7-12H2,1-2H3,(H,17,20)/p+1.
What are the key properties of methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium?
methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium has a molecular weight of 306.39 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium is sourced from PubChem (CID 8588773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).