2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

C27H22N2O5 — CID 112767046

IUPAC2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)N(Cc4ccco4)Cc4ccco4)cc3C2=O)c1
InChIInChI=1S/C27H22N2O5/c1-17-7-8-18(2)24(13-17)29-26(31)22-10-9-19(14-23(22)27(29)32)25(30)28(15-20-5-3-11-33-20)16-21-6-4-12-34-21/h3-14H,15-16H2,1-2H3
InChIKeyZIUXEKGWYUYJNC-UHFFFAOYSA-N
MW454.48 g/mol
LogP5.13
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 112767046) has the molecular formula C27H22N2O5 and a molecular weight of 454.48 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID112767046
Molecular FormulaC27H22N2O5
Molecular Weight454.48 g/mol
Exact Mass454.15
IUPAC Name2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)N(Cc4ccco4)Cc4ccco4)cc3C2=O)c1
InChIInChI=1S/C27H22N2O5/c1-17-7-8-18(2)24(13-17)29-26(31)22-10-9-19(14-23(22)27(29)32)25(30)28(15-20-5-3-11-33-20)16-21-6-4-12-34-21/h3-14H,15-16H2,1-2H3
InChIKeyZIUXEKGWYUYJNC-UHFFFAOYSA-N
XLogP5.13
TPSA83.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide 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-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2634273
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 4596269
2-(2,5-dimethylphenyl)-N-ethyl-1,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]isoindole-5-carboxamide
CID 46797351
2-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-propan-2-ylamino]acetic acid
CID 120581186
5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 140839777
2-(2,5-dimethylphenyl)-1,3-dioxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 55389170
methyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 823424
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,5-dimethylphenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 30278839
2-(2,5-dimethylphenyl)-N-[2-(methylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119504031
2-(2,5-dimethylphenyl)-N-[3-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 119433889
N-(furan-2-ylmethyl)-N,4-dimethyl-3-pyrrol-1-ylbenzamide
CID 18135649
N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119630318

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (CID 112767046) is 2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N(Cc4ccco4)Cc4ccco4)cc3C2=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is ZIUXEKGWYUYJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O5/c1-17-7-8-18(2)24(13-17)29-26(31)22-10-9-19(14-23(22)27(29)32)25(30)28(15-20-5-3-11-33-20)16-21-6-4-12-34-21/h3-14H,15-16H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 112767046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).