9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C25H31NO3 — CID 1401068

IUPAC9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C25H31NO3/c1-24(2)11-17-22(19(27)13-24)21(15-7-9-16(29-6)10-8-15)23-18(26(17)5)12-25(3,4)14-20(23)28/h7-10,21H,11-14H2,1-6H3
InChIKeyWVMIRCJKOBFUNZ-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.01
Rot. Bonds2

About 9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 1401068) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID1401068
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC Name9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C25H31NO3/c1-24(2)11-17-22(19(27)13-24)21(15-7-9-16(29-6)10-8-15)23-18(26(17)5)12-25(3,4)14-20(23)28/h7-10,21H,11-14H2,1-6H3
InChIKeyWVMIRCJKOBFUNZ-UHFFFAOYSA-N
XLogP5.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 1401068) is 9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is WVMIRCJKOBFUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO3/c1-24(2)11-17-22(19(27)13-24)21(15-7-9-16(29-6)10-8-15)23-18(26(17)5)12-25(3,4)14-20(23)28/h7-10,21H,11-14H2,1-6H3.
What are the key properties of 9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 393.53 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 1401068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).