2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C19H18N2O4 — CID 2529869

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O4/c1-20(11-13-7-3-6-10-16(13)25-2)17(22)12-21-18(23)14-8-4-5-9-15(14)19(21)24/h3-10H,11-12H2,1-2H3
InChIKeyKGSCTGMRSRUDTD-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.95
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 2529869) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID2529869
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O4/c1-20(11-13-7-3-6-10-16(13)25-2)17(22)12-21-18(23)14-8-4-5-9-15(14)19(21)24/h3-10H,11-12H2,1-2H3
InChIKeyKGSCTGMRSRUDTD-UHFFFAOYSA-N
XLogP1.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 2529869) is 2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is KGSCTGMRSRUDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-20(11-13-7-3-6-10-16(13)25-2)17(22)12-21-18(23)14-8-4-5-9-15(14)19(21)24/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 338.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 2529869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).