N-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide

C20H22N2O4 — CID 3236167

IUPACN-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc(OC)c(OC)c3)c2C1=O
InChIInChI=1S/C20H22N2O4/c1-4-10-22-12-13-6-5-7-15(18(13)20(22)24)19(23)21-14-8-9-16(25-2)17(11-14)26-3/h5-9,11H,4,10,12H2,1-3H3,(H,21,23)
InChIKeyQKDFCDBAFHDZLL-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.32
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide

N-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide (PubChem CID 3236167) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
PubChem CID3236167
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc(OC)c(OC)c3)c2C1=O
InChIInChI=1S/C20H22N2O4/c1-4-10-22-12-13-6-5-7-15(18(13)20(22)24)19(23)21-14-8-9-16(25-2)17(11-14)26-3/h5-9,11H,4,10,12H2,1-3H3,(H,21,23)
InChIKeyQKDFCDBAFHDZLL-UHFFFAOYSA-N
XLogP3.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide (CID 3236167) is N-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide is CCCN1Cc2cccc(C(=O)Nc3ccc(OC)c(OC)c3)c2C1=O.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The InChIKey is QKDFCDBAFHDZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-10-22-12-13-6-5-7-15(18(13)20(22)24)19(23)21-14-8-9-16(25-2)17(11-14)26-3/h5-9,11H,4,10,12H2,1-3H3,(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3236167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).