2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

C20H20N2O4 — CID 17362327

IUPAC2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1cccc(N2C(=O)c3ccc(C(=O)NCC(C)C)cc3C2=O)c1
InChIInChI=1S/C20H20N2O4/c1-12(2)11-21-18(23)13-7-8-16-17(9-13)20(25)22(19(16)24)14-5-4-6-15(10-14)26-3/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyQOPHWRYFGZILLP-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.88
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 17362327) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID17362327
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1cccc(N2C(=O)c3ccc(C(=O)NCC(C)C)cc3C2=O)c1
InChIInChI=1S/C20H20N2O4/c1-12(2)11-21-18(23)13-7-8-16-17(9-13)20(25)22(19(16)24)14-5-4-6-15(10-14)26-3/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyQOPHWRYFGZILLP-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide
CID 4168644
2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17359183
N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1238748
dimethyl 2-[[2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzene-1,4-dicarboxylate
CID 4644405
2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 26659419
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17171662
3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 17359363
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108537808
2-(3-methylphenyl)-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 17361193
methyl 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 823415
3-methoxy-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzamide
CID 110403480
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methoxybenzamide
CID 108539201

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (CID 17362327) is 2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is COc1cccc(N2C(=O)c3ccc(C(=O)NCC(C)C)cc3C2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is QOPHWRYFGZILLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12(2)11-21-18(23)13-7-8-16-17(9-13)20(25)22(19(16)24)14-5-4-6-15(10-14)26-3/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 17362327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).