10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C26H33NO3 — CID 5101871

IUPAC10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCO)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C26H33NO3/c1-16-6-8-17(9-7-16)22-23-18(12-25(2,3)14-20(23)29)27(10-11-28)19-13-26(4,5)15-21(30)24(19)22/h6-9,22,28H,10-15H2,1-5H3
InChIKeyQIBDRRJZDDJCFJ-UHFFFAOYSA-N
MW407.55 g/mol
LogP4.67
Rot. Bonds3

About 10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 5101871) has the molecular formula C26H33NO3 and a molecular weight of 407.55 g/mol. Its IUPAC name is 10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID5101871
Molecular FormulaC26H33NO3
Molecular Weight407.55 g/mol
Exact Mass407.25
IUPAC Name10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCO)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C26H33NO3/c1-16-6-8-17(9-7-16)22-23-18(12-25(2,3)14-20(23)29)27(10-11-28)19-13-26(4,5)15-21(30)24(19)22/h6-9,22,28H,10-15H2,1-5H3
InChIKeyQIBDRRJZDDJCFJ-UHFFFAOYSA-N
XLogP4.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.55
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 5101871) is 10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is Cc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCO)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is QIBDRRJZDDJCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO3/c1-16-6-8-17(9-7-16)22-23-18(12-25(2,3)14-20(23)29)27(10-11-28)19-13-26(4,5)15-21(30)24(19)22/h6-9,22,28H,10-15H2,1-5H3.
What are the key properties of 10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 407.55 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 5101871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).