2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide

C21H18N2O5 — CID 19130820

IUPAC2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
SMILESCc1ccc2c(=O)c3c(oc2c1C)C(=O)NC3c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C21H18N2O5/c1-10-3-8-14-18(25)16-17(23-21(26)20(16)28-19(14)11(10)2)12-4-6-13(7-5-12)27-9-15(22)24/h3-8,17H,9H2,1-2H3,(H2,22,24)(H,23,26)
InChIKeyTVLZGTLGNBGLHK-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.11
Rot. Bonds4

About 2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide

2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide (PubChem CID 19130820) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
PubChem CID19130820
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
SMILESCc1ccc2c(=O)c3c(oc2c1C)C(=O)NC3c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C21H18N2O5/c1-10-3-8-14-18(25)16-17(23-21(26)20(16)28-19(14)11(10)2)12-4-6-13(7-5-12)27-9-15(22)24/h3-8,17H,9H2,1-2H3,(H2,22,24)(H,23,26)
InChIKeyTVLZGTLGNBGLHK-UHFFFAOYSA-N
XLogP2.11
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide?
The IUPAC name of 2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide (CID 19130820) is 2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide is Cc1ccc2c(=O)c3c(oc2c1C)C(=O)NC3c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide?
The InChIKey is TVLZGTLGNBGLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-10-3-8-14-18(25)16-17(23-21(26)20(16)28-19(14)11(10)2)12-4-6-13(7-5-12)27-9-15(22)24/h3-8,17H,9H2,1-2H3,(H2,22,24)(H,23,26).
What are the key properties of 2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide?
2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide has a molecular weight of 378.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dimethyl-3,9-dioxo-1,2-dihydrochromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 19130820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).