9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C30H41NO5 — CID 3145383

IUPAC9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OC
InChIInChI=1S/C30H41NO5/c1-8-36-25-14-19(10-11-24(25)35-7)26-27-20(15-29(2,3)17-22(27)32)31(12-9-13-34-6)21-16-30(4,5)18-23(33)28(21)26/h10-11,14,26H,8-9,12-13,15-18H2,1-7H3
InChIKeyLBXVWKCWTXPIGJ-UHFFFAOYSA-N
MW495.66 g/mol
LogP5.82
Rot. Bonds8

About 9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 3145383) has the molecular formula C30H41NO5 and a molecular weight of 495.66 g/mol. Its IUPAC name is 9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID3145383
Molecular FormulaC30H41NO5
Molecular Weight495.66 g/mol
Exact Mass495.30
IUPAC Name9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OC
InChIInChI=1S/C30H41NO5/c1-8-36-25-14-19(10-11-24(25)35-7)26-27-20(15-29(2,3)17-22(27)32)31(12-9-13-34-6)21-16-30(4,5)18-23(33)28(21)26/h10-11,14,26H,8-9,12-13,15-18H2,1-7H3
InChIKeyLBXVWKCWTXPIGJ-UHFFFAOYSA-N
XLogP5.82
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.66
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 3145383) is 9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OC.
What is the InChIKey of 9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is LBXVWKCWTXPIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41NO5/c1-8-36-25-14-19(10-11-24(25)35-7)26-27-20(15-29(2,3)17-22(27)32)31(12-9-13-34-6)21-16-30(4,5)18-23(33)28(21)26/h10-11,14,26H,8-9,12-13,15-18H2,1-7H3.
What are the key properties of 9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 495.66 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethoxy-4-methoxyphenyl)-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 3145383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).