2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide

C26H24N2O4 — CID 127253767

IUPAC2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide
SMILESCc1coc2cc3oc(=O)c(CC(=O)NCCc4cn(C)c5ccccc45)c(C)c3cc12
InChIInChI=1S/C26H24N2O4/c1-15-14-31-23-12-24-20(10-19(15)23)16(2)21(26(30)32-24)11-25(29)27-9-8-17-13-28(3)22-7-5-4-6-18(17)22/h4-7,10,12-14H,8-9,11H2,1-3H3,(H,27,29)
InChIKeyCFUHXDFRLQDURE-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.55
Rot. Bonds5

About 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide

2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide (PubChem CID 127253767) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide
PubChem CID127253767
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide
SMILESCc1coc2cc3oc(=O)c(CC(=O)NCCc4cn(C)c5ccccc45)c(C)c3cc12
InChIInChI=1S/C26H24N2O4/c1-15-14-31-23-12-24-20(10-19(15)23)16(2)21(26(30)32-24)11-25(29)27-9-8-17-13-28(3)22-7-5-4-6-18(17)22/h4-7,10,12-14H,8-9,11H2,1-3H3,(H,27,29)
InChIKeyCFUHXDFRLQDURE-UHFFFAOYSA-N
XLogP4.55
TPSA77.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide (CID 127253767) is 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide is Cc1coc2cc3oc(=O)c(CC(=O)NCCc4cn(C)c5ccccc45)c(C)c3cc12.
What is the InChIKey of 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide?
The InChIKey is CFUHXDFRLQDURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-15-14-31-23-12-24-20(10-19(15)23)16(2)21(26(30)32-24)11-25(29)27-9-8-17-13-28(3)22-7-5-4-6-18(17)22/h4-7,10,12-14H,8-9,11H2,1-3H3,(H,27,29).
What are the key properties of 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide?
2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[2-(1-methylindol-3-yl)ethyl]acetamide is sourced from PubChem (CID 127253767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).