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

C19H33N3O2+2 — CID 9037716

IUPACmethyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)C[C@@H]2C[NH+](CC(C)C)CCO2)cc1
InChIInChI=1S/C19H31N3O2/c1-15(2)11-22-9-10-24-18(13-22)12-21(4)14-19(23)20-17-7-5-16(3)6-8-17/h5-8,15,18H,9-14H2,1-4H3,(H,20,23)/p+2/t18-/m1/s1
InChIKeyFNMIDSWHFFEQJN-GOSISDBHSA-P
MW335.49 g/mol
LogP-0.61
Rot. Bonds7

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

methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium (PubChem CID 9037716) has the molecular formula C19H33N3O2+2 and a molecular weight of 335.49 g/mol. Its IUPAC name is methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium
PubChem CID9037716
Molecular FormulaC19H33N3O2+2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Namemethyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)C[C@@H]2C[NH+](CC(C)C)CCO2)cc1
InChIInChI=1S/C19H31N3O2/c1-15(2)11-22-9-10-24-18(13-22)12-21(4)14-19(23)20-17-7-5-16(3)6-8-17/h5-8,15,18H,9-14H2,1-4H3,(H,20,23)/p+2/t18-/m1/s1
InChIKeyFNMIDSWHFFEQJN-GOSISDBHSA-P
XLogP-0.61
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium with MolForge

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium
CID 9040335
methyl-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8642217
(4-acetamidophenyl)methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium
CID 9268033
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium
CID 9252789
(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714126
methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8588773
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588581
1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea
CID 9438141
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785337
methyl-[2-(3-methylanilino)-2-oxoethyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8007094
methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]azanium
CID 8555821
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium?
The IUPAC name of methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium (CID 9037716) is methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium.
What is the SMILES notation for methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium?
The canonical SMILES for methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium is Cc1ccc(NC(=O)C[NH+](C)C[C@@H]2C[NH+](CC(C)C)CCO2)cc1.
What is the InChIKey of methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium?
The InChIKey is FNMIDSWHFFEQJN-GOSISDBHSA-P. The full InChI is InChI=1S/C19H31N3O2/c1-15(2)11-22-9-10-24-18(13-22)12-21(4)14-19(23)20-17-7-5-16(3)6-8-17/h5-8,15,18H,9-14H2,1-4H3,(H,20,23)/p+2/t18-/m1/s1.
What are the key properties of methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium?
methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium has a molecular weight of 335.49 g/mol, XLogP of -0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium is sourced from PubChem (CID 9037716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).