2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide

C31H34N2O5 — CID 126232642

IUPAC2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C2=C1CCCC2=O
InChIInChI=1S/C31H34N2O5/c1-4-33-22-7-5-9-24(34)30(22)29(31-23(33)8-6-10-25(31)35)20-13-16-26(27(17-20)37-3)38-18-28(36)32-21-14-11-19(2)12-15-21/h11-17,29H,4-10,18H2,1-3H3,(H,32,36)
InChIKeyTUPBDHAIPIAPFC-UHFFFAOYSA-N
MW514.62 g/mol
LogP5.45
Rot. Bonds7

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

2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 126232642) has the molecular formula C31H34N2O5 and a molecular weight of 514.62 g/mol. Its IUPAC name is 2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
PubChem CID126232642
Molecular FormulaC31H34N2O5
Molecular Weight514.62 g/mol
Exact Mass514.25
IUPAC Name2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C2=C1CCCC2=O
InChIInChI=1S/C31H34N2O5/c1-4-33-22-7-5-9-24(34)30(22)29(31-23(33)8-6-10-25(31)35)20-13-16-26(27(17-20)37-3)38-18-28(36)32-21-14-11-19(2)12-15-21/h11-17,29H,4-10,18H2,1-3H3,(H,32,36)
InChIKeyTUPBDHAIPIAPFC-UHFFFAOYSA-N
XLogP5.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide with MolForge

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Related Compounds

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-[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-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(2-fluorophenyl)acetamide
CID 126390665
2-[2-bromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
CID 126231423
N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide
CID 126269992
2-[2-bromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 1006852
2-[2-chloro-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 1006854
2-[2,6-dichloro-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126270664
N-(3-chloro-4-methylphenyl)-2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-2-methoxyphenoxy]acetamide
CID 126267968
2-[2-methoxy-4-(5-oxo-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-4-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 110529670
2-[9-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetate
CID 6958996
2-[2-ethoxy-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-6-iodophenoxy]-N-phenylacetamide
CID 126278473

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide (CID 126232642) is 2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide is CCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C2=C1CCCC2=O.
What is the InChIKey of 2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is TUPBDHAIPIAPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O5/c1-4-33-22-7-5-9-24(34)30(22)29(31-23(33)8-6-10-25(31)35)20-13-16-26(27(17-20)37-3)38-18-28(36)32-21-14-11-19(2)12-15-21/h11-17,29H,4-10,18H2,1-3H3,(H,32,36).
What are the key properties of 2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide?
2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 514.62 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 126232642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).