methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium

C24H33N4O3+ — CID 8592781

IUPACmethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium
SMILESC[C@H](CNC(=O)C[NH+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C24H32N4O3/c1-19(20-6-4-3-5-7-20)16-25-23(29)17-27(2)18-24(30)26-21-8-10-22(11-9-21)28-12-14-31-15-13-28/h3-11,19H,12-18H2,1-2H3,(H,25,29)(H,26,30)/p+1/t19-/m1/s1
InChIKeyBLORQEBIXDICLL-LJQANCHMSA-O
MW425.55 g/mol
LogP0.90
Rot. Bonds9

About methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium

methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium (PubChem CID 8592781) has the molecular formula C24H33N4O3+ and a molecular weight of 425.55 g/mol. Its IUPAC name is methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium
PubChem CID8592781
Molecular FormulaC24H33N4O3+
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Namemethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium
SMILESC[C@H](CNC(=O)C[NH+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C24H32N4O3/c1-19(20-6-4-3-5-7-20)16-25-23(29)17-27(2)18-24(30)26-21-8-10-22(11-9-21)28-12-14-31-15-13-28/h3-11,19H,12-18H2,1-2H3,(H,25,29)(H,26,30)/p+1/t19-/m1/s1
InChIKeyBLORQEBIXDICLL-LJQANCHMSA-O
XLogP0.90
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium with MolForge

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Related Compounds

(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839
methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium
CID 9267796
methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium
CID 8592773
methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592833
methyl-[(4-methylsulfanylphenyl)methyl]-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592985
2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2458170
methyl-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197703
N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide
CID 134053190
[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592723
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2337002

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium?
The IUPAC name of methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium (CID 8592781) is methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium.
What is the SMILES notation for methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium?
The canonical SMILES for methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium is C[C@H](CNC(=O)C[NH+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium?
The InChIKey is BLORQEBIXDICLL-LJQANCHMSA-O. The full InChI is InChI=1S/C24H32N4O3/c1-19(20-6-4-3-5-7-20)16-25-23(29)17-27(2)18-24(30)26-21-8-10-22(11-9-21)28-12-14-31-15-13-28/h3-11,19H,12-18H2,1-2H3,(H,25,29)(H,26,30)/p+1/t19-/m1/s1.
What are the key properties of methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium?
methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium has a molecular weight of 425.55 g/mol, XLogP of 0.90, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium is sourced from PubChem (CID 8592781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).