2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide

C23H22N2O4 — CID 4965580

IUPAC2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCc1cc(OCC(=O)NCCc2c[nH]c3ccccc23)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C23H22N2O4/c1-14-9-19(23-15(2)11-22(27)29-20(23)10-14)28-13-21(26)24-8-7-16-12-25-18-6-4-3-5-17(16)18/h3-6,9-12,25H,7-8,13H2,1-2H3,(H,24,26)
InChIKeyZDPKQLPBBMHHTO-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.63
Rot. Bonds6

About 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 4965580) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID4965580
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCc1cc(OCC(=O)NCCc2c[nH]c3ccccc23)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C23H22N2O4/c1-14-9-19(23-15(2)11-22(27)29-20(23)10-14)28-13-21(26)24-8-7-16-12-25-18-6-4-3-5-17(16)18/h3-6,9-12,25H,7-8,13H2,1-2H3,(H,24,26)
InChIKeyZDPKQLPBBMHHTO-UHFFFAOYSA-N
XLogP3.63
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 4965580) is 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide is Cc1cc(OCC(=O)NCCc2c[nH]c3ccccc23)c2c(C)cc(=O)oc2c1.
What is the InChIKey of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is ZDPKQLPBBMHHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-14-9-19(23-15(2)11-22(27)29-20(23)10-14)28-13-21(26)24-8-7-16-12-25-18-6-4-3-5-17(16)18/h3-6,9-12,25H,7-8,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 4965580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).