[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium

C20H31N4O4+ — CID 8791276

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C20H30N4O4/c1-5-23(13-20(27)24-10-14(2)28-15(3)11-24)12-19(26)22-18-8-6-17(7-9-18)21-16(4)25/h6-9,14-15H,5,10-13H2,1-4H3,(H,21,25)(H,22,26)/p+1/t14-,15-/m1/s1
InChIKeyRYOOVSQZAICDHU-HUUCEWRRSA-O
MW391.49 g/mol
LogP0.12
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium

[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium (PubChem CID 8791276) has the molecular formula C20H31N4O4+ and a molecular weight of 391.49 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium
PubChem CID8791276
Molecular FormulaC20H31N4O4+
Molecular Weight391.49 g/mol
Exact Mass391.23
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C20H30N4O4/c1-5-23(13-20(27)24-10-14(2)28-15(3)11-24)12-19(26)22-18-8-6-17(7-9-18)21-16(4)25/h6-9,14-15H,5,10-13H2,1-4H3,(H,21,25)(H,22,26)/p+1/t14-,15-/m1/s1
InChIKeyRYOOVSQZAICDHU-HUUCEWRRSA-O
XLogP0.12
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium with MolForge

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Related Compounds

bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
CID 8779879
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8609325
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 51147705
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium
CID 8791256
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium
CID 9254626
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2470771
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 8813258
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium
CID 8779933
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119744220

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium (CID 8791276) is [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium?
The InChIKey is RYOOVSQZAICDHU-HUUCEWRRSA-O. The full InChI is InChI=1S/C20H30N4O4/c1-5-23(13-20(27)24-10-14(2)28-15(3)11-24)12-19(26)22-18-8-6-17(7-9-18)21-16(4)25/h6-9,14-15H,5,10-13H2,1-4H3,(H,21,25)(H,22,26)/p+1/t14-,15-/m1/s1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium has a molecular weight of 391.49 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8791276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).