methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate

C15H20N2O4 — CID 51985182

IUPACmethyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-15(19)7-6-14(18)16-12-2-4-13(5-3-12)17-8-10-21-11-9-17/h2-5H,6-11H2,1H3,(H,16,18)
InChIKeySRJDWODEGLMHCX-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.41
Rot. Bonds5

About methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate

methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate (PubChem CID 51985182) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
PubChem CID51985182
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-15(19)7-6-14(18)16-12-2-4-13(5-3-12)17-8-10-21-11-9-17/h2-5H,6-11H2,1H3,(H,16,18)
InChIKeySRJDWODEGLMHCX-UHFFFAOYSA-N
XLogP1.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate 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 3-(4-morpholin-4-ylanilino)propanoate
CID 63180474
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate
CID 35014792
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide
CID 33164009
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564028
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
3-(4-hydroxypiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 46683230

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate?
The IUPAC name of methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate (CID 51985182) is methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate?
The canonical SMILES for methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate is COC(=O)CCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate?
The InChIKey is SRJDWODEGLMHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-15(19)7-6-14(18)16-12-2-4-13(5-3-12)17-8-10-21-11-9-17/h2-5H,6-11H2,1H3,(H,16,18).
What are the key properties of methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate?
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate has a molecular weight of 292.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate is sourced from PubChem (CID 51985182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).