2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

C22H29N3O2 — CID 11856025

IUPAC2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCCCCNc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O
InChIInChI=1S/C22H29N3O2/c1-5-6-9-24-18-11-15(7-8-16(18)21(23)27)25-14(2)10-17-19(25)12-22(3,4)13-20(17)26/h7-8,10-11,24H,5-6,9,12-13H2,1-4H3,(H2,23,27)
InChIKeyACWIMIUIZQMGDE-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.25
Rot. Bonds6

About 2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 11856025) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID11856025
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCCCCNc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O
InChIInChI=1S/C22H29N3O2/c1-5-6-9-24-18-11-15(7-8-16(18)21(23)27)25-14(2)10-17-19(25)12-22(3,4)13-20(17)26/h7-8,10-11,24H,5-6,9,12-13H2,1-4H3,(H2,23,27)
InChIKeyACWIMIUIZQMGDE-UHFFFAOYSA-N
XLogP4.25
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 11856025) is 2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is CCCCNc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O.
What is the InChIKey of 2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is ACWIMIUIZQMGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-6-9-24-18-11-15(7-8-16(18)21(23)27)25-14(2)10-17-19(25)12-22(3,4)13-20(17)26/h7-8,10-11,24H,5-6,9,12-13H2,1-4H3,(H2,23,27).
What are the key properties of 2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 11856025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).