10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C33H45NO5 — CID 126072067

IUPAC10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESC=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCCC
InChIInChI=1S/C33H45NO5/c1-9-11-21-15-22(16-27(38-8)31(21)39-13-10-2)28-29-23(17-32(3,4)19-25(29)35)34(12-14-37-7)24-18-33(5,6)20-26(36)30(24)28/h9,15-16,28H,1,10-14,17-20H2,2-8H3
InChIKeyIUIAKOIZPXYVPV-UHFFFAOYSA-N
MW535.73 g/mol
LogP6.54
Rot. Bonds10

About 10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 126072067) has the molecular formula C33H45NO5 and a molecular weight of 535.73 g/mol. Its IUPAC name is 10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID126072067
Molecular FormulaC33H45NO5
Molecular Weight535.73 g/mol
Exact Mass535.33
IUPAC Name10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESC=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCCC
InChIInChI=1S/C33H45NO5/c1-9-11-21-15-22(16-27(38-8)31(21)39-13-10-2)28-29-23(17-32(3,4)19-25(29)35)34(12-14-37-7)24-18-33(5,6)20-26(36)30(24)28/h9,15-16,28H,1,10-14,17-20H2,2-8H3
InChIKeyIUIAKOIZPXYVPV-UHFFFAOYSA-N
XLogP6.54
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.73
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 126072067) is 10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCCC.
What is the InChIKey of 10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is IUIAKOIZPXYVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45NO5/c1-9-11-21-15-22(16-27(38-8)31(21)39-13-10-2)28-29-23(17-32(3,4)19-25(29)35)34(12-14-37-7)24-18-33(5,6)20-26(36)30(24)28/h9,15-16,28H,1,10-14,17-20H2,2-8H3.
What are the key properties of 10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 535.73 g/mol, XLogP of 6.54, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyethyl)-9-(3-methoxy-5-prop-2-enyl-4-propoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 126072067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).