N-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide

C19H18N2O4 — CID 3244572

IUPACN-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2C1=O
InChIInChI=1S/C19H18N2O4/c1-2-8-21-10-12-4-3-5-14(17(12)19(21)23)18(22)20-13-6-7-15-16(9-13)25-11-24-15/h3-7,9H,2,8,10-11H2,1H3,(H,20,22)
InChIKeyMAIZNCUSYANEIV-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.03
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide

N-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide (PubChem CID 3244572) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
PubChem CID3244572
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2C1=O
InChIInChI=1S/C19H18N2O4/c1-2-8-21-10-12-4-3-5-14(17(12)19(21)23)18(22)20-13-6-7-15-16(9-13)25-11-24-15/h3-7,9H,2,8,10-11H2,1H3,(H,20,22)
InChIKeyMAIZNCUSYANEIV-UHFFFAOYSA-N
XLogP3.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-(4-methoxyphenyl)-3-oxo-1H-isoindol-4-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
CID 5307705
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
2-(1,3-Benzodioxol-5-yl)-3-benzyl-3-hydroxy-1-isoindolinone
CID 2897943
1(3H)-Isobenzofuranone, 3-(1,3-benzodioxol-5-ylamino)-
CID 652596
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(4-methoxy-phenyl)-propionamide
CID 682229
N-(1,3-benzodioxol-5-yl)-2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2221614
N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide
CID 2225277
N-1,3-benzodioxol-5-yl-4-butoxybenzamide
CID 2233891
N-(1,3-benzodioxol-5-yl)-3-butyl-4-oxophthalazine-1-carboxamide
CID 2409944
N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497309
N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497655
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 9442147

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide (CID 3244572) is N-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide is CCCN1Cc2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2C1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The InChIKey is MAIZNCUSYANEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-8-21-10-12-4-3-5-14(17(12)19(21)23)18(22)20-13-6-7-15-16(9-13)25-11-24-15/h3-7,9H,2,8,10-11H2,1H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3244572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).