2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide

C28H28N2O4 — CID 126267574

IUPAC2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1
InChIInChI=1S/C28H28N2O4/c1-17-7-2-3-10-20(17)30-25(33)16-34-19-9-4-8-18(15-19)26-27-21(11-5-13-23(27)31)29-22-12-6-14-24(32)28(22)26/h2-4,7-10,15,26,29H,5-6,11-14,16H2,1H3,(H,30,33)
InChIKeyBQULIFOYOSFCMM-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.71
Rot. Bonds5

About 2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide

2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 126267574) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide
PubChem CID126267574
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1
InChIInChI=1S/C28H28N2O4/c1-17-7-2-3-10-20(17)30-25(33)16-34-19-9-4-8-18(15-19)26-27-21(11-5-13-23(27)31)29-22-12-6-14-24(32)28(22)26/h2-4,7-10,15,26,29H,5-6,11-14,16H2,1H3,(H,30,33)
InChIKeyBQULIFOYOSFCMM-UHFFFAOYSA-N
XLogP4.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-(3-ethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1140481
(4S)-2-methyl-N-(2-methylphenyl)-5-oxo-4-(3-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 996704
N-(2,3-dimethylphenyl)-2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-2-methoxyphenoxy]acetamide
CID 126265320
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-[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-[3-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]-N-phenylacetamide
CID 126261859
2-methyl-N-(2-methylphenyl)-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3144732
2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126261766
(4R)-4-(3-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1039515
(4S)-4-(3-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1136533
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
2-[2,6-dibromo-4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126274092

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide (CID 126267574) is 2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1.
What is the InChIKey of 2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide?
The InChIKey is BQULIFOYOSFCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-17-7-2-3-10-20(17)30-25(33)16-34-19-9-4-8-18(15-19)26-27-21(11-5-13-23(27)31)29-22-12-6-14-24(32)28(22)26/h2-4,7-10,15,26,29H,5-6,11-14,16H2,1H3,(H,30,33).
What are the key properties of 2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide?
2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 456.54 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 126267574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).