(2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate

C26H23NO6 — CID 11732990

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate
SMILESO=C(Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1)ON1C(=O)CCC1=O
InChIInChI=1S/C26H23NO6/c28-24-13-14-25(29)27(24)33-26(30)15-21-11-12-22(31-17-19-7-3-1-4-8-19)16-23(21)32-18-20-9-5-2-6-10-20/h1-12,16H,13-15,17-18H2
InChIKeyIFFXHBDFLGFIRU-UHFFFAOYSA-N
MW445.47 g/mol
LogP3.99
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate (PubChem CID 11732990) has the molecular formula C26H23NO6 and a molecular weight of 445.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate
PubChem CID11732990
Molecular FormulaC26H23NO6
Molecular Weight445.47 g/mol
Exact Mass445.15
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate
SMILESO=C(Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1)ON1C(=O)CCC1=O
InChIInChI=1S/C26H23NO6/c28-24-13-14-25(29)27(24)33-26(30)15-21-11-12-22(31-17-19-7-3-1-4-8-19)16-23(21)32-18-20-9-5-2-6-10-20/h1-12,16H,13-15,17-18H2
InChIKeyIFFXHBDFLGFIRU-UHFFFAOYSA-N
XLogP3.99
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate 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-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
[2,4-bis(phenylmethoxy)phenyl]methyl formate
CID 87851163
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
3-[2,4-bis(phenylmethoxy)phenyl]-1-phenyl-1-piperazin-1-ylpropan-2-one
CID 70365773
[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 22087416
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid
CID 118454086
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate
CID 141452623
(2,5-dioxopyrrolidin-1-yl) 2-[[2,3-bis(phenylmethoxy)benzoyl]-[[2,3-bis(phenylmethoxy)benzoyl]amino]amino]acetate
CID 138654185
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate (CID 11732990) is (2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate is O=C(Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate?
The InChIKey is IFFXHBDFLGFIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO6/c28-24-13-14-25(29)27(24)33-26(30)15-21-11-12-22(31-17-19-7-3-1-4-8-19)16-23(21)32-18-20-9-5-2-6-10-20/h1-12,16H,13-15,17-18H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate has a molecular weight of 445.47 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[2,4-bis(phenylmethoxy)phenyl]acetate is sourced from PubChem (CID 11732990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).