3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide

C22H24N2O6 — CID 4797388

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1OC
InChIInChI=1S/C22H24N2O6/c1-23(13-14-9-10-17(28-2)20(30-4)19(14)29-3)18(25)11-12-24-21(26)15-7-5-6-8-16(15)22(24)27/h5-10H,11-13H2,1-4H3
InChIKeyQNOZBMPLTIIKDC-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.36
Rot. Bonds8

About 3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide (PubChem CID 4797388) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
PubChem CID4797388
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1OC
InChIInChI=1S/C22H24N2O6/c1-23(13-14-9-10-17(28-2)20(30-4)19(14)29-3)18(25)11-12-24-21(26)15-7-5-6-8-16(15)22(24)27/h5-10H,11-13H2,1-4H3
InChIKeyQNOZBMPLTIIKDC-UHFFFAOYSA-N
XLogP2.36
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide (CID 4797388) is 3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide is COc1ccc(CN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1OC.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
The InChIKey is QNOZBMPLTIIKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-23(13-14-9-10-17(28-2)20(30-4)19(14)29-3)18(25)11-12-24-21(26)15-7-5-6-8-16(15)22(24)27/h5-10H,11-13H2,1-4H3.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide has a molecular weight of 412.44 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 4797388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).