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

C33H38N2O4 — CID 126258420

IUPACN-(2,5-dimethylphenyl)-2-[2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide
SMILESCc1ccc(C)c(NC(=O)COc2ccccc2C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C33H38N2O4/c1-19-11-12-20(2)22(13-19)35-28(38)18-39-27-10-8-7-9-21(27)29-30-23(14-32(3,4)16-25(30)36)34-24-15-33(5,6)17-26(37)31(24)29/h7-13,29,34H,14-18H2,1-6H3,(H,35,38)
InChIKeyCWPLWGSHVFUWEO-UHFFFAOYSA-N
MW526.68 g/mol
LogP6.29
Rot. Bonds5

About 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

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 (PubChem CID 126258420) has the molecular formula C33H38N2O4 and a molecular weight of 526.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide
PubChem CID126258420
Molecular FormulaC33H38N2O4
Molecular Weight526.68 g/mol
Exact Mass526.28
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenoxy]acetamide
SMILESCc1ccc(C)c(NC(=O)COc2ccccc2C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C33H38N2O4/c1-19-11-12-20(2)22(13-19)35-28(38)18-39-27-10-8-7-9-21(27)29-30-23(14-32(3,4)16-25(30)36)34-24-15-33(5,6)17-26(37)31(24)29/h7-13,29,34H,14-18H2,1-6H3,(H,35,38)
InChIKeyCWPLWGSHVFUWEO-UHFFFAOYSA-N
XLogP6.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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-[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
N-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126271041
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-[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
N-(4-methylphenyl)-2-[2-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126228979
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-[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
N-(2,5-dimethylphenyl)-2-[4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenoxy]acetamide
CID 126260990

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C)c(NC(=O)COc2ccccc2C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1.
What is the InChIKey of 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?
The InChIKey is CWPLWGSHVFUWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O4/c1-19-11-12-20(2)22(13-19)35-28(38)18-39-27-10-8-7-9-21(27)29-30-23(14-32(3,4)16-25(30)36)34-24-15-33(5,6)17-26(37)31(24)29/h7-13,29,34H,14-18H2,1-6H3,(H,35,38).
What are the key properties of 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?
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 has a molecular weight of 526.68 g/mol, XLogP of 6.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126258420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).