10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

C29H31NO3 — CID 1325913

IUPAC10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(C)cc3)cc2)C2=C1CCCC2=O
InChIInChI=1S/C29H31NO3/c1-3-30-23-6-4-8-25(31)28(23)27(29-24(30)7-5-9-26(29)32)21-14-16-22(17-15-21)33-18-20-12-10-19(2)11-13-20/h10-17,27H,3-9,18H2,1-2H3
InChIKeyLCDNYASJCQHRDC-UHFFFAOYSA-N
MW441.57 g/mol
LogP6.01
Rot. Bonds5

About 10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 1325913) has the molecular formula C29H31NO3 and a molecular weight of 441.57 g/mol. Its IUPAC name is 10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID1325913
Molecular FormulaC29H31NO3
Molecular Weight441.57 g/mol
Exact Mass441.23
IUPAC Name10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(C)cc3)cc2)C2=C1CCCC2=O
InChIInChI=1S/C29H31NO3/c1-3-30-23-6-4-8-25(31)28(23)27(29-24(30)7-5-9-26(29)32)21-14-16-22(17-15-21)33-18-20-12-10-19(2)11-13-20/h10-17,27H,3-9,18H2,1-2H3
InChIKeyLCDNYASJCQHRDC-UHFFFAOYSA-N
XLogP6.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione with MolForge

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Related Compounds

4-[4-[(4-methylphenyl)methoxy]phenyl]-1-propyl-2-sulfanylidene-4,6,7,8-tetrahydro-3H-quinazolin-5-one
CID 110528099
3-[9-[4-[(4-fluorophenyl)methoxy]phenyl]-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]propanoic acid
CID 126075981
5-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-phenylmethoxybenzoic acid
CID 1290893
4-[[2-ethoxy-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]methyl]benzoic acid
CID 126078274
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
[3-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenyl] 4-methylbenzenesulfonate
CID 2295610
9-[4-[(4-fluorophenyl)methoxy]phenyl]-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 5104099
3-[9-[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]propanoic acid
CID 126071002
(4R)-2-amino-4-[4-[(4-methylphenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 126132954
(4S)-2-amino-4-[4-[(4-bromophenyl)methoxy]phenyl]-1-methyl-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126141587
methyl (4S)-2-amino-4-[4-[(4-methylphenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 126134789
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

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 1325913) is 10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(C)cc3)cc2)C2=C1CCCC2=O.
What is the InChIKey of 10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is LCDNYASJCQHRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO3/c1-3-30-23-6-4-8-25(31)28(23)27(29-24(30)7-5-9-26(29)32)21-14-16-22(17-15-21)33-18-20-12-10-19(2)11-13-20/h10-17,27H,3-9,18H2,1-2H3.
What are the key properties of 10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 441.57 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-9-[4-[(4-methylphenyl)methoxy]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 1325913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).