N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide

C25H30N2O3 — CID 3443810

IUPACN-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C25H30N2O3/c1-14(28)26-16-8-6-15(7-9-16)21-22-17(10-24(2,3)12-19(22)29)27-18-11-25(4,5)13-20(30)23(18)21/h6-9,21,27H,10-13H2,1-5H3,(H,26,28)
InChIKeyUEGBANYAKOJYOS-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.62
Rot. Bonds2

About N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide

N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide (PubChem CID 3443810) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide
PubChem CID3443810
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C25H30N2O3/c1-14(28)26-16-8-6-15(7-9-16)21-22-17(10-24(2,3)12-19(22)29)27-18-11-25(4,5)13-20(30)23(18)21/h6-9,21,27H,10-13H2,1-5H3,(H,26,28)
InChIKeyUEGBANYAKOJYOS-UHFFFAOYSA-N
XLogP4.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide (CID 3443810) is N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide?
The InChIKey is UEGBANYAKOJYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-14(28)26-16-8-6-15(7-9-16)21-22-17(10-24(2,3)12-19(22)29)27-18-11-25(4,5)13-20(30)23(18)21/h6-9,21,27H,10-13H2,1-5H3,(H,26,28).
What are the key properties of N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide?
N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,9,10-hexahydroacridin-9-yl)phenyl]acetamide is sourced from PubChem (CID 3443810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).