2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene

C36H44Cl2N2O5 — CID 46741709

IUPAC2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene
SMILESCNC(=O)COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Cl.Cc1ccccc1Cl
InChIInChI=1S/C29H37ClN2O5.C7H7Cl/c1-28(2)12-19-26(21(33)14-28)25(17-7-8-23(18(30)11-17)37-16-24(35)31-5)27-20(32(19)9-10-36-6)13-29(3,4)15-22(27)34;1-6-4-2-3-5-7(6)8/h7-8,11,25H,9-10,12-16H2,1-6H3,(H,31,35);2-5H,1H3
InChIKeyHLFLQGNMMDTQOJ-UHFFFAOYSA-N
MW655.66 g/mol
LogP7.45
Rot. Bonds7

About 2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene

2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene (PubChem CID 46741709) has the molecular formula C36H44Cl2N2O5 and a molecular weight of 655.66 g/mol. Its IUPAC name is 2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene.

Molecular Properties

Compound Name2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene
PubChem CID46741709
Molecular FormulaC36H44Cl2N2O5
Molecular Weight655.66 g/mol
Exact Mass654.26
IUPAC Name2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene
SMILESCNC(=O)COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Cl.Cc1ccccc1Cl
InChIInChI=1S/C29H37ClN2O5.C7H7Cl/c1-28(2)12-19-26(21(33)14-28)25(17-7-8-23(18(30)11-17)37-16-24(35)31-5)27-20(32(19)9-10-36-6)13-29(3,4)15-22(27)34;1-6-4-2-3-5-7(6)8/h7-8,11,25H,9-10,12-16H2,1-6H3,(H,31,35);2-5H,1H3
InChIKeyHLFLQGNMMDTQOJ-UHFFFAOYSA-N
XLogP7.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.66
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene with MolForge

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Related Compounds

2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetic acid
CID 126070449
N-(3-chloro-4-methylphenyl)-2-[2-chloro-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126258853
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-chloro-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126273169
2-[2-chloro-4-(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 126231686
2-[2-bromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 126262446
9-(3-bromo-4-hydroxyphenyl)-10-(2-methoxyethyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 4161359
9-[3-chloro-4-(2,4-dinitrophenoxy)phenyl]-10-(2-methoxyethyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126097255
2-[2-methoxy-4-[10-(3-methoxypropyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetic acid
CID 126078876
9-(3-ethoxy-4-hydroxyphenyl)-10-(2-methoxyethyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 2902394
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-methylacetamide;toluene
CID 46741690
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene?
The IUPAC name of 2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene (CID 46741709) is 2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene.
What is the SMILES notation for 2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene?
The canonical SMILES for 2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene is CNC(=O)COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Cl.Cc1ccccc1Cl.
What is the InChIKey of 2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene?
The InChIKey is HLFLQGNMMDTQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClN2O5.C7H7Cl/c1-28(2)12-19-26(21(33)14-28)25(17-7-8-23(18(30)11-17)37-16-24(35)31-5)27-20(32(19)9-10-36-6)13-29(3,4)15-22(27)34;1-6-4-2-3-5-7(6)8/h7-8,11,25H,9-10,12-16H2,1-6H3,(H,31,35);2-5H,1H3.
What are the key properties of 2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene?
2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene has a molecular weight of 655.66 g/mol, XLogP of 7.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-methylacetamide;1-chloro-2-methylbenzene is sourced from PubChem (CID 46741709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).