(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium

C21H27N4O3+ — CID 8592839

IUPAC(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H26N4O3/c1-24(15-20(26)22-17-5-3-2-4-6-17)16-21(27)23-18-7-9-19(10-8-18)25-11-13-28-14-12-25/h2-10H,11-16H2,1H3,(H,22,26)(H,23,27)/p+1
InChIKeyIEWFJRQHBXPXSY-UHFFFAOYSA-O
MW383.47 g/mol
LogP0.62
Rot. Bonds7

About (2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium

(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium (PubChem CID 8592839) has the molecular formula C21H27N4O3+ and a molecular weight of 383.47 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
PubChem CID8592839
Molecular FormulaC21H27N4O3+
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H26N4O3/c1-24(15-20(26)22-17-5-3-2-4-6-17)16-21(27)23-18-7-9-19(10-8-18)25-11-13-28-14-12-25/h2-10H,11-16H2,1H3,(H,22,26)(H,23,27)/p+1
InChIKeyIEWFJRQHBXPXSY-UHFFFAOYSA-O
XLogP0.62
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium
CID 8592781
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
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium
CID 9348099
methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8588773
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8693187
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium?
The IUPAC name of (2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium (CID 8592839) is (2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for (2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium?
The canonical SMILES for (2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium is C[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium?
The InChIKey is IEWFJRQHBXPXSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26N4O3/c1-24(15-20(26)22-17-5-3-2-4-6-17)16-21(27)23-18-7-9-19(10-8-18)25-11-13-28-14-12-25/h2-10H,11-16H2,1H3,(H,22,26)(H,23,27)/p+1.
What are the key properties of (2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium?
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium has a molecular weight of 383.47 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8592839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).