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

C28H26N2O4 — CID 97488960

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

N-[(1R)-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 97488960) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[(1R)-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-[(1R)-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: 97488960
• Molecular Formula: C28H26N2O4
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.19
• IUPAC Name: N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
• SMILES: Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@@H]4CCCc5c4[nH]c4ccccc54)c(C)c3cc12
• InChI: InChI=1S/C28H26N2O4/c1-14-13-33-26-16(3)27-20(11-19(14)26)15(2)21(28(32)34-27)12-24(31)29-23-10-6-8-18-17-7-4-5-9-22(17)30-25(18)23/h4-5,7,9,11,13,23,30H,6,8,10,12H2,1-3H3,(H,29,31)/t23-/m1/s1
• InChIKey: QMOHVTSBVFOJQM-HSZRJFAPSA-N
• XLogP: 5.68
• TPSA: 88.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-[(1R)-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-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide (CID 97488960) is N-[(1R)-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-[(1R)-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-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide is Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@@H]4CCCc5c4[nH]c4ccccc54)c(C)c3cc12.

What is the InChIKey of N-[(1R)-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 QMOHVTSBVFOJQM-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-14-13-33-26-16(3)27-20(11-19(14)26)15(2)21(28(32)34-27)12-24(31)29-23-10-6-8-18-17-7-4-5-9-22(17)30-25(18)23/h4-5,7,9,11,13,23,30H,6,8,10,12H2,1-3H3,(H,29,31)/t23-/m1/s1.

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

N-[(1R)-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 454.53 g/mol, XLogP of 5.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-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 97488960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).