2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide

C33H37ClN2O4 — CID 126266328

IUPAC2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C33H37ClN2O4/c1-18-7-8-19(2)22(11-18)36-28(39)17-40-27-10-9-20(34)12-21(27)29-30-23(13-32(3,4)15-25(30)37)35-24-14-33(5,6)16-26(38)31(24)29/h7-12,29,35H,13-17H2,1-6H3,(H,36,39)
InChIKeyLRHRTGJYWLKVQT-UHFFFAOYSA-N
MW561.12 g/mol
LogP6.95
Rot. Bonds5

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

2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 126266328) has the molecular formula C33H37ClN2O4 and a molecular weight of 561.12 g/mol. Its IUPAC name is 2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
PubChem CID126266328
Molecular FormulaC33H37ClN2O4
Molecular Weight561.12 g/mol
Exact Mass560.24
IUPAC Name2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C33H37ClN2O4/c1-18-7-8-19(2)22(11-18)36-28(39)17-40-27-10-9-20(34)12-21(27)29-30-23(13-32(3,4)15-25(30)37)35-24-14-33(5,6)16-26(38)31(24)29/h7-12,29,35H,13-17H2,1-6H3,(H,36,39)
InChIKeyLRHRTGJYWLKVQT-UHFFFAOYSA-N
XLogP6.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.12
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide
CID 126258420
2-[4-chloro-2-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126259519
2-[4-bromo-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126273488
2-[4-bromo-2-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126270636
2-[4-bromo-2-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126262250
2-[4-bromo-2-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126278652
2-[2-chloro-4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126267954
2-[4-bromo-2-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126266515
2-[2-chloro-6-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126257640
2-[4-chloro-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
CID 1006842
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
2-[4-chloro-2-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
CID 126231587

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide (CID 126266328) is 2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1.
What is the InChIKey of 2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is LRHRTGJYWLKVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClN2O4/c1-18-7-8-19(2)22(11-18)36-28(39)17-40-27-10-9-20(34)12-21(27)29-30-23(13-32(3,4)15-25(30)37)35-24-14-33(5,6)16-26(38)31(24)29/h7-12,29,35H,13-17H2,1-6H3,(H,36,39).
What are the key properties of 2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide?
2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 561.12 g/mol, XLogP of 6.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 126266328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).