2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H34N2O7 — CID 74725322

IUPAC2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2C3=C(OC4CC(OC)CCC4C3=O)C(=O)N2CCN(C)C)cc(OC)c1OC
InChIInChI=1S/C25H34N2O7/c1-26(2)9-10-27-21(14-11-18(31-4)23(33-6)19(12-14)32-5)20-22(28)16-8-7-15(30-3)13-17(16)34-24(20)25(27)29/h11-12,15-17,21H,7-10,13H2,1-6H3
InChIKeyIYLNGYZTYGSHKH-UHFFFAOYSA-N
MW474.55 g/mol
LogP2.19
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 74725322) has the molecular formula C25H34N2O7 and a molecular weight of 474.55 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID74725322
Molecular FormulaC25H34N2O7
Molecular Weight474.55 g/mol
Exact Mass474.24
IUPAC Name2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2C3=C(OC4CC(OC)CCC4C3=O)C(=O)N2CCN(C)C)cc(OC)c1OC
InChIInChI=1S/C25H34N2O7/c1-26(2)9-10-27-21(14-11-18(31-4)23(33-6)19(12-14)32-5)20-22(28)16-8-7-15(30-3)13-17(16)34-24(20)25(27)29/h11-12,15-17,21H,7-10,13H2,1-6H3
InChIKeyIYLNGYZTYGSHKH-UHFFFAOYSA-N
XLogP2.19
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(dimethylamino)propyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74773928
2-ethyl-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78334730
1-(2,3-dimethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74571012
6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73263751
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78256352
2-[2-(diethylamino)ethyl]-1-(2-fluorophenyl)-6-methoxy-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73263759
1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74570991
2-(furan-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74722427
1-(4-chlorophenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74570981
2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78256349
1-(4-tert-butylphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74571016
1-(4-hydroxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78248172

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 74725322) is 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2C3=C(OC4CC(OC)CCC4C3=O)C(=O)N2CCN(C)C)cc(OC)c1OC.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IYLNGYZTYGSHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O7/c1-26(2)9-10-27-21(14-11-18(31-4)23(33-6)19(12-14)32-5)20-22(28)16-8-7-15(30-3)13-17(16)34-24(20)25(27)29/h11-12,15-17,21H,7-10,13H2,1-6H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 474.55 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 74725322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).