4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide

C19H21N3O3 — CID 66953002

IUPAC4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)c(C(N)=O)c1)CC(C)(C)CC2=O
InChIInChI=1S/C19H21N3O3/c1-10-6-14-15(8-19(2,3)9-16(14)23)22(10)11-4-5-12(17(20)24)13(7-11)18(21)25/h4-7H,8-9H2,1-3H3,(H2,20,24)(H2,21,25)
InChIKeyIQJLYUCCPJAWEN-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.14
Rot. Bonds3

About 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide

4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide (PubChem CID 66953002) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide
PubChem CID66953002
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide
SMILESCc1cc2c(n1-c1ccc(C(N)=O)c(C(N)=O)c1)CC(C)(C)CC2=O
InChIInChI=1S/C19H21N3O3/c1-10-6-14-15(8-19(2,3)9-16(14)23)22(10)11-4-5-12(17(20)24)13(7-11)18(21)25/h4-7H,8-9H2,1-3H3,(H2,20,24)(H2,21,25)
InChIKeyIQJLYUCCPJAWEN-UHFFFAOYSA-N
XLogP2.14
TPSA108.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide?
The IUPAC name of 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide (CID 66953002) is 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide?
The canonical SMILES for 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide is Cc1cc2c(n1-c1ccc(C(N)=O)c(C(N)=O)c1)CC(C)(C)CC2=O.
What is the InChIKey of 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide?
The InChIKey is IQJLYUCCPJAWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-10-6-14-15(8-19(2,3)9-16(14)23)22(10)11-4-5-12(17(20)24)13(7-11)18(21)25/h4-7H,8-9H2,1-3H3,(H2,20,24)(H2,21,25).
What are the key properties of 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide?
4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 66953002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).