N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

C29H28N2O5 — CID 75492017

About N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide (PubChem CID 75492017) has the molecular formula C29H28N2O5 and a molecular weight of 484.55 g/mol. Its IUPAC name is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide.

Molecular Properties

• Compound Name: N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
• PubChem CID: 75492017
• Molecular Formula: C29H28N2O5
• Molecular Weight: 484.55 g/mol
• Exact Mass: 484.20
• IUPAC Name: N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
• SMILES: COc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O
• InChI: InChI=1S/C29H28N2O5/c1-14-13-35-27-16(3)28-20(11-19(14)27)15(2)21(29(33)36-28)12-25(32)30-24-7-5-6-18-22-10-17(34-4)8-9-23(22)31-26(18)24/h8-11,13,24,31H,5-7,12H2,1-4H3,(H,30,32)
• InChIKey: JZYWJYFUQOCDCT-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 97.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.55
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?

The IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide (CID 75492017) is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide.

What is the SMILES notation for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?

The canonical SMILES for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide is COc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O.

What is the InChIKey of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?

The InChIKey is JZYWJYFUQOCDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O5/c1-14-13-35-27-16(3)28-20(11-19(14)27)15(2)21(29(33)36-28)12-25(32)30-24-7-5-6-18-22-10-17(34-4)8-9-23(22)31-26(18)24/h8-11,13,24,31H,5-7,12H2,1-4H3,(H,30,32).

What are the key properties of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?

N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide has a molecular weight of 484.55 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide is sourced from PubChem (CID 75492017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).