(2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene

C29H33NO5 — CID 144616966

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene
SMILESCC.COc1ccc(C)cc1.Cc1ccc(Cc2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C19H17NO4.C8H10O.C2H6/c1-13-2-4-14(5-3-13)12-15-6-8-16(9-7-15)19(23)24-20-17(21)10-11-18(20)22;1-7-3-5-8(9-2)6-4-7;1-2/h2-9H,10-12H2,1H3;3-6H,1-2H3;1-2H3
InChIKeySGQNADLBJBMDEY-UHFFFAOYSA-N
MW475.59 g/mol
LogP5.84
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene

(2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene (PubChem CID 144616966) has the molecular formula C29H33NO5 and a molecular weight of 475.59 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene
PubChem CID144616966
Molecular FormulaC29H33NO5
Molecular Weight475.59 g/mol
Exact Mass475.24
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene
SMILESCC.COc1ccc(C)cc1.Cc1ccc(Cc2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C19H17NO4.C8H10O.C2H6/c1-13-2-4-14(5-3-13)12-15-6-8-16(9-7-15)19(23)24-20-17(21)10-11-18(20)22;1-7-3-5-8(9-2)6-4-7;1-2/h2-9H,10-12H2,1H3;3-6H,1-2H3;1-2H3
InChIKeySGQNADLBJBMDEY-UHFFFAOYSA-N
XLogP5.84
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene 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

(2,5-dioxopyrrolidin-1-yl) 4-[hydroxy-(4-methoxyphenyl)-(4-methylphenyl)methyl]benzoate
CID 19967587
(2,5-dioxopyrrolidin-1-yl) 4-[[3-[(4-methoxyphenyl)-methyl-λ3-iodanyl]phenyl]methyl]benzoate
CID 159515860
(2,5-dioxopyrrolidin-1-yl) 4-ethylbenzoate;ethane
CID 172600342
(2,5-dioxopyrrolidin-1-yl) 4-[(3-ethylphenyl)methyl]benzoate
CID 138460094
(2,5-dioxopyrrolidin-1-yl) 4-[2-(4-methylphenyl)ethynyl]benzoate
CID 129054191
methyl 4-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]benzoate
CID 89390468
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588
(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate
CID 15690079
(4-methoxyphenyl)methoxymethyl 4-methylbenzoate
CID 15498572
(2,5-dioxopyrrolidin-1-yl) 4-(4-heptoxyphenyl)benzoate
CID 19969049
(4-methoxybenzoyl)oxymethyl 4-methylbenzoate
CID 134487475
(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
CID 11110628

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene (CID 144616966) is (2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene is CC.COc1ccc(C)cc1.Cc1ccc(Cc2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene?
The InChIKey is SGQNADLBJBMDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4.C8H10O.C2H6/c1-13-2-4-14(5-3-13)12-15-6-8-16(9-7-15)19(23)24-20-17(21)10-11-18(20)22;1-7-3-5-8(9-2)6-4-7;1-2/h2-9H,10-12H2,1H3;3-6H,1-2H3;1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene?
(2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene has a molecular weight of 475.59 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[(4-methylphenyl)methyl]benzoate;ethane;1-methoxy-4-methylbenzene is sourced from PubChem (CID 144616966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).