2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H39NO6 — CID 74685362

IUPAC2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)C2=C(C(=O)C3CC(C)C(C)CC3O2)C1c1ccc(OCCC(C)C)c(OC)c1
InChIInChI=1S/C28H39NO6/c1-16(2)9-11-34-21-8-7-19(15-23(21)33-6)25-24-26(30)20-13-17(3)18(4)14-22(20)35-27(24)28(31)29(25)10-12-32-5/h7-8,15-18,20,22,25H,9-14H2,1-6H3
InChIKeyPXQUGIYVNBLACR-UHFFFAOYSA-N
MW485.62 g/mol
LogP4.55
Rot. Bonds9

About 2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 74685362) has the molecular formula C28H39NO6 and a molecular weight of 485.62 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID74685362
Molecular FormulaC28H39NO6
Molecular Weight485.62 g/mol
Exact Mass485.28
IUPAC Name2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)C2=C(C(=O)C3CC(C)C(C)CC3O2)C1c1ccc(OCCC(C)C)c(OC)c1
InChIInChI=1S/C28H39NO6/c1-16(2)9-11-34-21-8-7-19(15-23(21)33-6)25-24-26(30)20-13-17(3)18(4)14-22(20)35-27(24)28(31)29(25)10-12-32-5/h7-8,15-18,20,22,25H,9-14H2,1-6H3
InChIKeyPXQUGIYVNBLACR-UHFFFAOYSA-N
XLogP4.55
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.62
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-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

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-[3-methoxy-4-(3-methylbutoxy)phenyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73261130
2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255548
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
1-(4-fluorophenyl)-2-(2-methoxyethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74715953
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
7-chloro-1-(3,4-dimethoxyphenyl)-6-methyl-2-(pyridin-3-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78252239
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-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78255480
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
7-chloro-1-(3,4-dimethoxyphenyl)-2-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261401
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-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-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 74685362) is 2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-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-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-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-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)C2=C(C(=O)C3CC(C)C(C)CC3O2)C1c1ccc(OCCC(C)C)c(OC)c1.
What is the InChIKey of 2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PXQUGIYVNBLACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO6/c1-16(2)9-11-34-21-8-7-19(15-23(21)33-6)25-24-26(30)20-13-17(3)18(4)14-22(20)35-27(24)28(31)29(25)10-12-32-5/h7-8,15-18,20,22,25H,9-14H2,1-6H3.
What are the key properties of 2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 485.62 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 74685362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).