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

C30H32N2O4 — CID 126271041

IUPACN-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
SMILESCc1ccc(C)c(NC(=O)COc2ccccc2C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c1
InChIInChI=1S/C30H32N2O4/c1-18-14-15-19(2)21(16-18)31-27(35)17-36-26-13-5-4-8-20(26)28-29-22(9-6-11-24(29)33)32(3)23-10-7-12-25(34)30(23)28/h4-5,8,13-16,28H,6-7,9-12,17H2,1-3H3,(H,31,35)
InChIKeyGTFAMERQHAQFQX-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.36
Rot. Bonds5

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

N-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide (PubChem CID 126271041) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
PubChem CID126271041
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
SMILESCc1ccc(C)c(NC(=O)COc2ccccc2C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c1
InChIInChI=1S/C30H32N2O4/c1-18-14-15-19(2)21(16-18)31-27(35)17-36-26-13-5-4-8-20(26)28-29-22(9-6-11-24(29)33)32(3)23-10-7-12-25(34)30(23)28/h4-5,8,13-16,28H,6-7,9-12,17H2,1-3H3,(H,31,35)
InChIKeyGTFAMERQHAQFQX-UHFFFAOYSA-N
XLogP5.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126381127
2-[2-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126390435
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-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-[2-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126264022
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-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126266021
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-[2,6-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-[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-(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
2-[2-chloro-4-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126261749

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide?
The IUPAC name of 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) is N-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide is Cc1ccc(C)c(NC(=O)COc2ccccc2C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide?
The InChIKey is GTFAMERQHAQFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-18-14-15-19(2)21(16-18)31-27(35)17-36-26-13-5-4-8-20(26)28-29-22(9-6-11-24(29)33)32(3)23-10-7-12-25(34)30(23)28/h4-5,8,13-16,28H,6-7,9-12,17H2,1-3H3,(H,31,35).
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide?
N-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide has a molecular weight of 484.60 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide is sourced from PubChem (CID 126271041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).