2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H36N2O4 — CID 74724282

IUPAC2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)C2=C(C(=O)C3CC(C)C(C)CC3O2)C1c1ccc(OC)cc1
InChIInChI=1S/C26H36N2O4/c1-6-27(7-2)12-13-28-23(18-8-10-19(31-5)11-9-18)22-24(29)20-14-16(3)17(4)15-21(20)32-25(22)26(28)30/h8-11,16-17,20-21,23H,6-7,12-15H2,1-5H3
InChIKeyLNQDUYIBQFEYJO-UHFFFAOYSA-N
MW440.58 g/mol
LogP3.82
Rot. Bonds7

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

2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 74724282) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID74724282
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)C2=C(C(=O)C3CC(C)C(C)CC3O2)C1c1ccc(OC)cc1
InChIInChI=1S/C26H36N2O4/c1-6-27(7-2)12-13-28-23(18-8-10-19(31-5)11-9-18)22-24(29)20-14-16(3)17(4)15-21(20)32-25(22)26(28)30/h8-11,16-17,20-21,23H,6-7,12-15H2,1-5H3
InChIKeyLNQDUYIBQFEYJO-UHFFFAOYSA-N
XLogP3.82
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[2-(diethylamino)ethyl]-6,7-dimethyl-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74711240
2-[2-(diethylamino)ethyl]-1-(3,4-dimethoxyphenyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74774038
2-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73260611
1-(3-hydroxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78244372
2-[2-(diethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78383737
1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74759366
2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(3-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74759370
1-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261420
2-butyl-1-(4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73259990
2-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73263693
7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73263685
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 74724282) is 2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)C2=C(C(=O)C3CC(C)C(C)CC3O2)C1c1ccc(OC)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LNQDUYIBQFEYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-6-27(7-2)12-13-28-23(18-8-10-19(31-5)11-9-18)22-24(29)20-14-16(3)17(4)15-21(20)32-25(22)26(28)30/h8-11,16-17,20-21,23H,6-7,12-15H2,1-5H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 440.58 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 74724282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).