2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide

C24H24N2O5 — CID 56723679

IUPAC2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)NCCn3ccc4ccccc43)c(=O)oc2c1OC
InChIInChI=1S/C24H24N2O5/c1-15-17-8-9-20(29-2)23(30-3)22(17)31-24(28)18(15)14-21(27)25-11-13-26-12-10-16-6-4-5-7-19(16)26/h4-10,12H,11,13-14H2,1-3H3,(H,25,27)
InChIKeyPBOYEERBXONTNE-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.43
Rot. Bonds7

About 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide

2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide (PubChem CID 56723679) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide
PubChem CID56723679
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)NCCn3ccc4ccccc43)c(=O)oc2c1OC
InChIInChI=1S/C24H24N2O5/c1-15-17-8-9-20(29-2)23(30-3)22(17)31-24(28)18(15)14-21(27)25-11-13-26-12-10-16-6-4-5-7-19(16)26/h4-10,12H,11,13-14H2,1-3H3,(H,25,27)
InChIKeyPBOYEERBXONTNE-UHFFFAOYSA-N
XLogP3.43
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide?
The IUPAC name of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide (CID 56723679) is 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide?
The canonical SMILES for 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide is COc1ccc2c(C)c(CC(=O)NCCn3ccc4ccccc43)c(=O)oc2c1OC.
What is the InChIKey of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide?
The InChIKey is PBOYEERBXONTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-15-17-8-9-20(29-2)23(30-3)22(17)31-24(28)18(15)14-21(27)25-11-13-26-12-10-16-6-4-5-7-19(16)26/h4-10,12H,11,13-14H2,1-3H3,(H,25,27).
What are the key properties of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide?
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide has a molecular weight of 420.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide is sourced from PubChem (CID 56723679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).