benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate

C26H27NO6 — CID 56977976

IUPACbenzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate
SMILESCON(C)C(=O)COC(c1ccccc1)(c1ccccc1)C(O)C(=O)OCc1ccccc1
InChIInChI=1S/C26H27NO6/c1-27(31-2)23(28)19-33-26(21-14-8-4-9-15-21,22-16-10-5-11-17-22)24(29)25(30)32-18-20-12-6-3-7-13-20/h3-17,24,29H,18-19H2,1-2H3
InChIKeyOWRLJJNHZNRHTF-UHFFFAOYSA-N
MW449.50 g/mol
LogP3.07
Rot. Bonds10

About benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate

benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate (PubChem CID 56977976) has the molecular formula C26H27NO6 and a molecular weight of 449.50 g/mol. Its IUPAC name is benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate.

Molecular Properties

Compound Namebenzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate
PubChem CID56977976
Molecular FormulaC26H27NO6
Molecular Weight449.50 g/mol
Exact Mass449.18
IUPAC Namebenzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate
SMILESCON(C)C(=O)COC(c1ccccc1)(c1ccccc1)C(O)C(=O)OCc1ccccc1
InChIInChI=1S/C26H27NO6/c1-27(31-2)23(28)19-33-26(21-14-8-4-9-15-21,22-16-10-5-11-17-22)24(29)25(30)32-18-20-12-6-3-7-13-20/h3-17,24,29H,18-19H2,1-2H3
InChIKeyOWRLJJNHZNRHTF-UHFFFAOYSA-N
XLogP3.07
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate 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 benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate?
The IUPAC name of benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate (CID 56977976) is benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate.
What is the SMILES notation for benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate?
The canonical SMILES for benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate is CON(C)C(=O)COC(c1ccccc1)(c1ccccc1)C(O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate?
The InChIKey is OWRLJJNHZNRHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO6/c1-27(31-2)23(28)19-33-26(21-14-8-4-9-15-21,22-16-10-5-11-17-22)24(29)25(30)32-18-20-12-6-3-7-13-20/h3-17,24,29H,18-19H2,1-2H3.
What are the key properties of benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate?
benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate has a molecular weight of 449.50 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate is sourced from PubChem (CID 56977976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).