methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium

C24H33N4O2+ — CID 9267796

IUPACmethyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C24H32N4O2/c1-26(18-20-6-2-3-7-23(20)28-14-16-30-17-15-28)19-24(29)25-21-8-10-22(11-9-21)27-12-4-5-13-27/h2-3,6-11H,4-5,12-19H2,1H3,(H,25,29)/p+1
InChIKeyOHMOMDMPMHQPEU-UHFFFAOYSA-O
MW409.55 g/mol
LogP1.78
Rot. Bonds7

About methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium

methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium (PubChem CID 9267796) has the molecular formula C24H33N4O2+ and a molecular weight of 409.55 g/mol. Its IUPAC name is methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium
PubChem CID9267796
Molecular FormulaC24H33N4O2+
Molecular Weight409.55 g/mol
Exact Mass409.26
IUPAC Namemethyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C24H32N4O2/c1-26(18-20-6-2-3-7-23(20)28-14-16-30-17-15-28)19-24(29)25-21-8-10-22(11-9-21)27-12-4-5-13-27/h2-3,6-11H,4-5,12-19H2,1H3,(H,25,29)/p+1
InChIKeyOHMOMDMPMHQPEU-UHFFFAOYSA-O
XLogP1.78
TPSA49.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839
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
methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azanium
CID 8592773
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41118821
methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium
CID 8592781
(5-acetyl-2-ethoxyphenyl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592692
methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium
CID 9268106
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 9029424
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148096

Frequently Asked Questions

What is the IUPAC name of methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium?
The IUPAC name of methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium (CID 9267796) is methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium.
What is the SMILES notation for methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium?
The canonical SMILES for methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium is C[NH+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1N1CCOCC1.
What is the InChIKey of methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium?
The InChIKey is OHMOMDMPMHQPEU-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H32N4O2/c1-26(18-20-6-2-3-7-23(20)28-14-16-30-17-15-28)19-24(29)25-21-8-10-22(11-9-21)27-12-4-5-13-27/h2-3,6-11H,4-5,12-19H2,1H3,(H,25,29)/p+1.
What are the key properties of methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium?
methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium has a molecular weight of 409.55 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium is sourced from PubChem (CID 9267796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).