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

C19H18N2O4 — CID 757368

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O4/c1-25-16-9-5-2-6-13(16)12-20-17(22)10-11-21-18(23)14-7-3-4-8-15(14)19(21)24/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeySKNKDSVQCVGPMX-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.00
Rot. Bonds6

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

3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 757368) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID757368
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O4/c1-25-16-9-5-2-6-13(16)12-20-17(22)10-11-21-18(23)14-7-3-4-8-15(14)19(21)24/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeySKNKDSVQCVGPMX-UHFFFAOYSA-N
XLogP2.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
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 3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide (CID 757368) is 3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is SKNKDSVQCVGPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-25-16-9-5-2-6-13(16)12-20-17(22)10-11-21-18(23)14-7-3-4-8-15(14)19(21)24/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 338.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 757368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).