methyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate

C25H26N2O3 — CID 4728006

IUPACmethyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate
SMILESCOC(=O)c1cc(NCc2ccc(-c3ccccc3)cc2)ccc1N1CCOCC1
InChIInChI=1S/C25H26N2O3/c1-29-25(28)23-17-22(11-12-24(23)27-13-15-30-16-14-27)26-18-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-12,17,26H,13-16,18H2,1H3
InChIKeyWVHMUIAZEKJEHR-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.59
Rot. Bonds6

About methyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate

methyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate (PubChem CID 4728006) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate
PubChem CID4728006
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Namemethyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate
SMILESCOC(=O)c1cc(NCc2ccc(-c3ccccc3)cc2)ccc1N1CCOCC1
InChIInChI=1S/C25H26N2O3/c1-29-25(28)23-17-22(11-12-24(23)27-13-15-30-16-14-27)26-18-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-12,17,26H,13-16,18H2,1H3
InChIKeyWVHMUIAZEKJEHR-UHFFFAOYSA-N
XLogP4.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.59
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 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate?
The IUPAC name of methyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate (CID 4728006) is methyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate.
What is the SMILES notation for methyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate?
The canonical SMILES for methyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate is COC(=O)c1cc(NCc2ccc(-c3ccccc3)cc2)ccc1N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate?
The InChIKey is WVHMUIAZEKJEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-29-25(28)23-17-22(11-12-24(23)27-13-15-30-16-14-27)26-18-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-12,17,26H,13-16,18H2,1H3.
What are the key properties of methyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate?
methyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate has a molecular weight of 402.49 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-5-[(4-phenylphenyl)methylamino]benzoate is sourced from PubChem (CID 4728006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).