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

C19H33N3O3+2 — CID 9040335

IUPAC[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium
SMILESCOc1ccc(NC(=O)C[NH+](C)C[C@@H]2C[NH+](CC(C)C)CCO2)cc1
InChIInChI=1S/C19H31N3O3/c1-15(2)11-22-9-10-25-18(13-22)12-21(3)14-19(23)20-16-5-7-17(24-4)8-6-16/h5-8,15,18H,9-14H2,1-4H3,(H,20,23)/p+2/t18-/m1/s1
InChIKeyCVHCXVQUQFOYOA-GOSISDBHSA-P
MW351.49 g/mol
LogP-0.91
Rot. Bonds8

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

[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium (PubChem CID 9040335) has the molecular formula C19H33N3O3+2 and a molecular weight of 351.49 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium
PubChem CID9040335
Molecular FormulaC19H33N3O3+2
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium
SMILESCOc1ccc(NC(=O)C[NH+](C)C[C@@H]2C[NH+](CC(C)C)CCO2)cc1
InChIInChI=1S/C19H31N3O3/c1-15(2)11-22-9-10-25-18(13-22)12-21(3)14-19(23)20-16-5-7-17(24-4)8-6-16/h5-8,15,18H,9-14H2,1-4H3,(H,20,23)/p+2/t18-/m1/s1
InChIKeyCVHCXVQUQFOYOA-GOSISDBHSA-P
XLogP-0.91
TPSA56.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl-[2-(4-methylanilino)-2-oxoethyl]-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium
CID 9037716
methyl-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8642217
(4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8793434
(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
1-(2-methoxyphenyl)-3-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]urea
CID 9438141
[(2S)-2-cyanopropyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8817086
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899
(2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8845878
[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8817977
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222891
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222568

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium (CID 9040335) is [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium is COc1ccc(NC(=O)C[NH+](C)C[C@@H]2C[NH+](CC(C)C)CCO2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium?
The InChIKey is CVHCXVQUQFOYOA-GOSISDBHSA-P. The full InChI is InChI=1S/C19H31N3O3/c1-15(2)11-22-9-10-25-18(13-22)12-21(3)14-19(23)20-16-5-7-17(24-4)8-6-16/h5-8,15,18H,9-14H2,1-4H3,(H,20,23)/p+2/t18-/m1/s1.
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium?
[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium has a molecular weight of 351.49 g/mol, XLogP of -0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl]-methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium is sourced from PubChem (CID 9040335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).