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

C23H29N3O3 — CID 66952603

IUPAC2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cn(-c2ccc(C(N)=O)c(NC3CCCCO3)c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C23H29N3O3/c1-14-13-26(18-11-23(2,3)12-19(27)21(14)18)15-7-8-16(22(24)28)17(10-15)25-20-6-4-5-9-29-20/h7-8,10,13,20,25H,4-6,9,11-12H2,1-3H3,(H2,24,28)
InChIKeyZNGLVZSAVGEPLJ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.98
Rot. Bonds4

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

2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 66952603) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID66952603
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCc1cn(-c2ccc(C(N)=O)c(NC3CCCCO3)c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C23H29N3O3/c1-14-13-26(18-11-23(2,3)12-19(27)21(14)18)15-7-8-16(22(24)28)17(10-15)25-20-6-4-5-9-29-20/h7-8,10,13,20,25H,4-6,9,11-12H2,1-3H3,(H2,24,28)
InChIKeyZNGLVZSAVGEPLJ-UHFFFAOYSA-N
XLogP3.98
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 66952603) is 2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is Cc1cn(-c2ccc(C(N)=O)c(NC3CCCCO3)c2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is ZNGLVZSAVGEPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-14-13-26(18-11-23(2,3)12-19(27)21(14)18)15-7-8-16(22(24)28)17(10-15)25-20-6-4-5-9-29-20/h7-8,10,13,20,25H,4-6,9,11-12H2,1-3H3,(H2,24,28).
What are the key properties of 2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 395.50 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 66952603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).