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

C34H40N2O6 — CID 2968100

IUPAC2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(C)C4=C3C(=O)CC(C)(C)C4)cc2OC)cc1
InChIInChI=1S/C34H40N2O6/c1-33(2)15-23-31(25(37)17-33)30(32-24(36(23)5)16-34(3,4)18-26(32)38)20-8-13-27(28(14-20)41-7)42-19-29(39)35-21-9-11-22(40-6)12-10-21/h8-14,30H,15-19H2,1-7H3,(H,35,39)
InChIKeyZFTXUHOJKPJUDA-UHFFFAOYSA-N
MW572.70 g/mol
LogP6.04
Rot. Bonds7

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

2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide (PubChem CID 2968100) has the molecular formula C34H40N2O6 and a molecular weight of 572.70 g/mol. Its IUPAC name is 2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide
PubChem CID2968100
Molecular FormulaC34H40N2O6
Molecular Weight572.70 g/mol
Exact Mass572.29
IUPAC Name2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(C)C4=C3C(=O)CC(C)(C)C4)cc2OC)cc1
InChIInChI=1S/C34H40N2O6/c1-33(2)15-23-31(25(37)17-33)30(32-24(36(23)5)16-34(3,4)18-26(32)38)20-8-13-27(28(14-20)41-7)42-19-29(39)35-21-9-11-22(40-6)12-10-21/h8-14,30H,15-19H2,1-7H3,(H,35,39)
InChIKeyZFTXUHOJKPJUDA-UHFFFAOYSA-N
XLogP6.04
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.70
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[2-bromo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126274873
2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 126388850
2-[4-[(4R)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 1112664
N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126273682
2-[2-ethoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetic acid
CID 126056686
2-[2-chloro-6-ethoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 126229963
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
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-ethoxy-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 126383018
2-[2-chloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126229288
2-[4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-2-ethoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 1113522
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide (CID 2968100) is 2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(C)C4=C3C(=O)CC(C)(C)C4)cc2OC)cc1.
What is the InChIKey of 2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide?
The InChIKey is ZFTXUHOJKPJUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O6/c1-33(2)15-23-31(25(37)17-33)30(32-24(36(23)5)16-34(3,4)18-26(32)38)20-8-13-27(28(14-20)41-7)42-19-29(39)35-21-9-11-22(40-6)12-10-21/h8-14,30H,15-19H2,1-7H3,(H,35,39).
What are the key properties of 2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide?
2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide has a molecular weight of 572.70 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2968100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).