2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide

C26H26N2O4 — CID 15989067

IUPAC2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2C(=O)NCCc2ccccc2)c(OC)c1
InChIInChI=1S/C26H26N2O4/c1-31-20-13-12-19(23(16-20)32-2)17-28-24(21-10-6-7-11-22(21)26(28)30)25(29)27-15-14-18-8-4-3-5-9-18/h3-13,16,24H,14-15,17H2,1-2H3,(H,27,29)
InChIKeyVMCGPAOHICETNV-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.76
Rot. Bonds8

About 2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide

2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide (PubChem CID 15989067) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
PubChem CID15989067
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2C(=O)NCCc2ccccc2)c(OC)c1
InChIInChI=1S/C26H26N2O4/c1-31-20-13-12-19(23(16-20)32-2)17-28-24(21-10-6-7-11-22(21)26(28)30)25(29)27-15-14-18-8-4-3-5-9-18/h3-13,16,24H,14-15,17H2,1-2H3,(H,27,29)
InChIKeyVMCGPAOHICETNV-UHFFFAOYSA-N
XLogP3.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide 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 2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide (CID 15989067) is 2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide is COc1ccc(CN2C(=O)c3ccccc3C2C(=O)NCCc2ccccc2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
The InChIKey is VMCGPAOHICETNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-31-20-13-12-19(23(16-20)32-2)17-28-24(21-10-6-7-11-22(21)26(28)30)25(29)27-15-14-18-8-4-3-5-9-18/h3-13,16,24H,14-15,17H2,1-2H3,(H,27,29).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide is sourced from PubChem (CID 15989067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).