2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide

C23H21N3O3 — CID 52806948

IUPAC2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide
SMILESCCCn1ccc2cc(NC(=O)c3ccc4c(c3)C(=O)N(C3CC3)C4=O)ccc21
InChIInChI=1S/C23H21N3O3/c1-2-10-25-11-9-14-12-16(4-8-20(14)25)24-21(27)15-3-7-18-19(13-15)23(29)26(22(18)28)17-5-6-17/h3-4,7-9,11-13,17H,2,5-6,10H2,1H3,(H,24,27)
InChIKeyMZFVAVYSUDCEIT-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.06
Rot. Bonds5

About 2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide

2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide (PubChem CID 52806948) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide
PubChem CID52806948
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide
SMILESCCCn1ccc2cc(NC(=O)c3ccc4c(c3)C(=O)N(C3CC3)C4=O)ccc21
InChIInChI=1S/C23H21N3O3/c1-2-10-25-11-9-14-12-16(4-8-20(14)25)24-21(27)15-3-7-18-19(13-15)23(29)26(22(18)28)17-5-6-17/h3-4,7-9,11-13,17H,2,5-6,10H2,1H3,(H,24,27)
InChIKeyMZFVAVYSUDCEIT-UHFFFAOYSA-N
XLogP4.06
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide
CID 52806998
(2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 52503351
3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide
CID 49498527
3-methyl-N-(1-propylindol-5-yl)-4-(tetrazol-1-yl)benzamide
CID 49498363
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
CID 49498410
1-(4-hydroxycyclohexyl)-3-(1-propylindol-5-yl)urea
CID 110936399
N-(1-propylindol-5-yl)pyrrolidine-2-carboxamide
CID 119865612
[4-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] propanoate
CID 2221764
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-propylindol-5-yl)benzamide
CID 60607019
N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 39280369
5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide
CID 119865572

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide (CID 52806948) is 2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide is CCCn1ccc2cc(NC(=O)c3ccc4c(c3)C(=O)N(C3CC3)C4=O)ccc21.
What is the InChIKey of 2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide?
The InChIKey is MZFVAVYSUDCEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-2-10-25-11-9-14-12-16(4-8-20(14)25)24-21(27)15-3-7-18-19(13-15)23(29)26(22(18)28)17-5-6-17/h3-4,7-9,11-13,17H,2,5-6,10H2,1H3,(H,24,27).
What are the key properties of 2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide?
2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide is sourced from PubChem (CID 52806948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).