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

C34H40N2O4 — CID 126274725

IUPACN-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
SMILESCc1cccc(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)N(C)C4=C3C(=O)CC(C)(C)C4)c2)c1C
InChIInChI=1S/C34H40N2O4/c1-20-10-8-13-24(21(20)2)35-29(39)19-40-23-12-9-11-22(14-23)30-31-25(15-33(3,4)17-27(31)37)36(7)26-16-34(5,6)18-28(38)32(26)30/h8-14,30H,15-19H2,1-7H3,(H,35,39)
InChIKeyVTXZYATWZDABTN-UHFFFAOYSA-N
MW540.70 g/mol
LogP6.64
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide (PubChem CID 126274725) has the molecular formula C34H40N2O4 and a molecular weight of 540.70 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
PubChem CID126274725
Molecular FormulaC34H40N2O4
Molecular Weight540.70 g/mol
Exact Mass540.30
IUPAC NameN-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
SMILESCc1cccc(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)N(C)C4=C3C(=O)CC(C)(C)C4)c2)c1C
InChIInChI=1S/C34H40N2O4/c1-20-10-8-13-24(21(20)2)35-29(39)19-40-23-12-9-11-22(14-23)30-31-25(15-33(3,4)17-27(31)37)36(7)26-16-34(5,6)18-28(38)32(26)30/h8-14,30H,15-19H2,1-7H3,(H,35,39)
InChIKeyVTXZYATWZDABTN-UHFFFAOYSA-N
XLogP6.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.70
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126264443
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-[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
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-(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
2-[3-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetic acid
CID 126075051
N-(4-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenoxy]acetamide
CID 126224937
2-[2,6-dichloro-4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126263933
2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126259179
2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126267574
N-(2,5-dimethylphenyl)-2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
CID 126269122
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide (CID 126274725) is N-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide is Cc1cccc(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)N(C)C4=C3C(=O)CC(C)(C)C4)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide?
The InChIKey is VTXZYATWZDABTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O4/c1-20-10-8-13-24(21(20)2)35-29(39)19-40-23-12-9-11-22(14-23)30-31-25(15-33(3,4)17-27(31)37)36(7)26-16-34(5,6)18-28(38)32(26)30/h8-14,30H,15-19H2,1-7H3,(H,35,39).
What are the key properties of N-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide?
N-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide has a molecular weight of 540.70 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide is sourced from PubChem (CID 126274725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).