[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate

C21H24N2O4 — CID 2426931

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C21H24N2O4/c1-15-3-4-16(2)19(13-15)21(25)27-14-20(24)22-17-5-7-18(8-6-17)23-9-11-26-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyOIVRGXHOXZQDQN-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.94
Rot. Bonds5

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 2426931) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID2426931
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C21H24N2O4/c1-15-3-4-16(2)19(13-15)21(25)27-14-20(24)22-17-5-7-18(8-6-17)23-9-11-26-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyOIVRGXHOXZQDQN-UHFFFAOYSA-N
XLogP2.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate 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

[2-(N-methylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2335983
2-[Methyl(phenyl)amino]-2-oxoethyl 2-methylbenzoate
CID 2336314
[2-(N-methylanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2336315
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2371360
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2481637
3-methyl-1-oxo-N-phenyl-3,4-dihydro-1H-isochromene-3-carboxamide
CID 3158987
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 4034846
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 4344299
1-oxo-N-phenyl-3,4-dihydro-1H-isochromene-3-carboxamide
CID 4906278
[2-(N-cyclohexylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654095
2-(3,4-Dimethylphenyl)-2-oxoethyl 2-hydroxy-4-quinolinecarboxylate
CID 1918024
methyl-4'-[(N-phenylpentanamido)methyl]biphenyl-2-carboxylate
CID 118432349

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate (CID 2426931) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate is Cc1ccc(C)c(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is OIVRGXHOXZQDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-3-4-16(2)19(13-15)21(25)27-14-20(24)22-17-5-7-18(8-6-17)23-9-11-26-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,22,24).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate has a molecular weight of 368.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 2426931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).