[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate

C21H25N3O4 — CID 2355337

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-23(2)18-7-3-16(4-8-18)21(26)28-15-20(25)22-17-5-9-19(10-6-17)24-11-13-27-14-12-24/h3-10H,11-15H2,1-2H3,(H,22,25)
InChIKeyQBLBLNUUNUHPDS-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.38
Rot. Bonds6

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate (PubChem CID 2355337) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
PubChem CID2355337
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-23(2)18-7-3-16(4-8-18)21(26)28-15-20(25)22-17-5-9-19(10-6-17)24-11-13-27-14-12-24/h3-10H,11-15H2,1-2H3,(H,22,25)
InChIKeyQBLBLNUUNUHPDS-UHFFFAOYSA-N
XLogP2.38
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate (CID 2355337) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate?
The InChIKey is QBLBLNUUNUHPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-23(2)18-7-3-16(4-8-18)21(26)28-15-20(25)22-17-5-9-19(10-6-17)24-11-13-27-14-12-24/h3-10H,11-15H2,1-2H3,(H,22,25).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate has a molecular weight of 383.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 2355337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).