2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C32H33NO7 — CID 18820562

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C32H33NO7/c1-7-39-24-11-9-21(17-27(24)38-6)29-28-30(34)22-14-18(2)19(3)15-25(22)40-31(28)32(35)33(29)13-12-20-8-10-23(36-4)26(16-20)37-5/h8-11,14-17,29H,7,12-13H2,1-6H3
InChIKeyXAYAMTIPTIMCQK-UHFFFAOYSA-N
MW543.62 g/mol
LogP5.62
Rot. Bonds9

About 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820562) has the molecular formula C32H33NO7 and a molecular weight of 543.62 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18820562
Molecular FormulaC32H33NO7
Molecular Weight543.62 g/mol
Exact Mass543.23
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C32H33NO7/c1-7-39-24-11-9-21(17-27(24)38-6)29-28-30(34)22-14-18(2)19(3)15-25(22)40-31(28)32(35)33(29)13-12-20-8-10-23(36-4)26(16-20)37-5/h8-11,14-17,29H,7,12-13H2,1-6H3
InChIKeyXAYAMTIPTIMCQK-UHFFFAOYSA-N
XLogP5.62
TPSA87.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.62
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820578
1-(3,4-diethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820026
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143691
2-[3-(dimethylamino)propyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5082658
1-(3-methoxy-4-pentoxyphenyl)-6,7-dimethyl-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706772
2-butyl-7-chloro-1-(4-ethoxy-3-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882306
(1R)-1-(3,4-diethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 34116886
(1R)-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308877
7-chloro-1-(3-methoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882738
7-chloro-1-(3,4-dimethoxyphenyl)-6-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882259
7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-hydroxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4972905
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890705

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18820562) is 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XAYAMTIPTIMCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO7/c1-7-39-24-11-9-21(17-27(24)38-6)29-28-30(34)22-14-18(2)19(3)15-25(22)40-31(28)32(35)33(29)13-12-20-8-10-23(36-4)26(16-20)37-5/h8-11,14-17,29H,7,12-13H2,1-6H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 543.62 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).