(1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H30N2O4 — CID 41019785

IUPAC(1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1
InChIInChI=1S/C26H30N2O4/c1-6-13-31-19-9-7-18(8-10-19)23-22-24(29)20-14-16(2)17(3)15-21(20)32-25(22)26(30)28(23)12-11-27(4)5/h7-10,14-15,23H,6,11-13H2,1-5H3/t23-/m1/s1
InChIKeyYCOQGTRYVXFBKM-HSZRJFAPSA-N
MW434.54 g/mol
LogP4.31
Rot. Bonds7

About (1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41019785) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is (1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41019785
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name(1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1
InChIInChI=1S/C26H30N2O4/c1-6-13-31-19-9-7-18(8-10-19)23-22-24(29)20-14-16(2)17(3)15-21(20)32-25(22)26(30)28(23)12-11-27(4)5/h7-10,14-15,23H,6,11-13H2,1-5H3/t23-/m1/s1
InChIKeyYCOQGTRYVXFBKM-HSZRJFAPSA-N
XLogP4.31
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134388
3-[6,7-dimethyl-3,9-dioxo-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 5013603
(1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40768048
(1R)-1-(4-bromophenyl)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2212038
7-chloro-6-methyl-1-(4-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882265
2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810846
2-[2-(diethylamino)ethyl]-6,7-dimethyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705451
(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242570
2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4710981
(1S)-2-[2-(dimethylamino)ethyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40768056
1-(4-hexoxyphenyl)-6,7-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820520
6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856685

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41019785) is (1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1.
What is the InChIKey of (1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YCOQGTRYVXFBKM-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-6-13-31-19-9-7-18(8-10-19)23-22-24(29)20-14-16(2)17(3)15-21(20)32-25(22)26(30)28(23)12-11-27(4)5/h7-10,14-15,23H,6,11-13H2,1-5H3/t23-/m1/s1.
What are the key properties of (1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 434.54 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41019785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).