2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

C24H32N4O3 — CID 25094042

IUPAC2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cn(-c2ccc(C(N)=O)c(NCCN3CCOCC3)c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H32N4O3/c1-16-15-28(20-13-24(2,3)14-21(29)22(16)20)17-4-5-18(23(25)30)19(12-17)26-6-7-27-8-10-31-11-9-27/h4-5,12,15,26H,6-11,13-14H2,1-3H3,(H2,25,30)
InChIKeyUUNHLCIEMSNQLG-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.78
Rot. Bonds6

About 2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 25094042) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID25094042
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cn(-c2ccc(C(N)=O)c(NCCN3CCOCC3)c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H32N4O3/c1-16-15-28(20-13-24(2,3)14-21(29)22(16)20)17-4-5-18(23(25)30)19(12-17)26-6-7-27-8-10-31-11-9-27/h4-5,12,15,26H,6-11,13-14H2,1-3H3,(H2,25,30)
InChIKeyUUNHLCIEMSNQLG-UHFFFAOYSA-N
XLogP2.78
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 25094042) is 2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is Cc1cn(-c2ccc(C(N)=O)c(NCCN3CCOCC3)c2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is UUNHLCIEMSNQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-16-15-28(20-13-24(2,3)14-21(29)22(16)20)17-4-5-18(23(25)30)19(12-17)26-6-7-27-8-10-31-11-9-27/h4-5,12,15,26H,6-11,13-14H2,1-3H3,(H2,25,30).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 424.55 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 25094042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).