2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide

C40H44N2O4 — CID 126269667

IUPAC2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccccc2C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)c1C
InChIInChI=1S/C40H44N2O4/c1-25-13-12-17-29(26(25)2)41-35(45)24-46-34-18-11-10-16-28(34)36-37-30(19-39(3,4)21-32(37)43)42(23-27-14-8-7-9-15-27)31-20-40(5,6)22-33(44)38(31)36/h7-18,36H,19-24H2,1-6H3,(H,41,45)
InChIKeyHFKBRAVTRGDPMM-UHFFFAOYSA-N
MW616.80 g/mol
LogP8.21
Rot. Bonds7

About 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide

2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 126269667) has the molecular formula C40H44N2O4 and a molecular weight of 616.80 g/mol. Its IUPAC name is 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
PubChem CID126269667
Molecular FormulaC40H44N2O4
Molecular Weight616.80 g/mol
Exact Mass616.33
IUPAC Name2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccccc2C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)c1C
InChIInChI=1S/C40H44N2O4/c1-25-13-12-17-29(26(25)2)41-35(45)24-46-34-18-11-10-16-28(34)36-37-30(19-39(3,4)21-32(37)43)42(23-27-14-8-7-9-15-27)31-20-40(5,6)22-33(44)38(31)36/h7-18,36H,19-24H2,1-6H3,(H,41,45)
InChIKeyHFKBRAVTRGDPMM-UHFFFAOYSA-N
XLogP8.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.80
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide with MolForge

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Related Compounds

N-(2,3-dimethylphenyl)-2-[2-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
CID 126262444
2-[2-chloro-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126261810
2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4,6-dibromophenoxy]-N-(2-methylphenyl)acetamide
CID 126255055
2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-phenylacetamide
CID 126269600
N-(2-methylphenyl)-2-[2-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenoxy]acetamide
CID 126270396
2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 126272625
N-(3-methylphenyl)-2-[2-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
CID 126263889
N-(2-fluorophenyl)-2-[2-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126381461
2-[3-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126276248
2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126259278
2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 126277737
N-(3,4-dimethylphenyl)-2-[2-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126254102

Frequently Asked Questions

What is the IUPAC name of 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide (CID 126269667) is 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)COc2ccccc2C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)c1C.
What is the InChIKey of 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is HFKBRAVTRGDPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44N2O4/c1-25-13-12-17-29(26(25)2)41-35(45)24-46-34-18-11-10-16-28(34)36-37-30(19-39(3,4)21-32(37)43)42(23-27-14-8-7-9-15-27)31-20-40(5,6)22-33(44)38(31)36/h7-18,36H,19-24H2,1-6H3,(H,41,45).
What are the key properties of 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide?
2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 616.80 g/mol, XLogP of 8.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 126269667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).