3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C19H18N2O5 — CID 10570106

IUPAC3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCOc1cc(OC)cc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O5/c1-25-12-7-11(8-13(9-12)26-2)16(10-17(20)22)21-18(23)14-5-3-4-6-15(14)19(21)24/h3-9,16H,10H2,1-2H3,(H2,20,22)
InChIKeyKPCSISQFPQWXTP-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.92
Rot. Bonds6

About 3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 10570106) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID10570106
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCOc1cc(OC)cc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O5/c1-25-12-7-11(8-13(9-12)26-2)16(10-17(20)22)21-18(23)14-5-3-4-6-15(14)19(21)24/h3-9,16H,10H2,1-2H3,(H2,20,22)
InChIKeyKPCSISQFPQWXTP-UHFFFAOYSA-N
XLogP1.92
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 10570106) is 3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is COc1cc(OC)cc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is KPCSISQFPQWXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-25-12-7-11(8-13(9-12)26-2)16(10-17(20)22)21-18(23)14-5-3-4-6-15(14)19(21)24/h3-9,16H,10H2,1-2H3,(H2,20,22).
What are the key properties of 3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 354.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 10570106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).