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

C28H26N2O5 — CID 124878912

IUPAC2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O
InChIInChI=1S/C28H26N2O5/c1-14-13-34-24-12-25-19(10-18(14)24)15(2)20(28(32)35-25)11-26(31)29-23-6-4-5-17-21-9-16(33-3)7-8-22(21)30-27(17)23/h7-10,12-13,23,30H,4-6,11H2,1-3H3,(H,29,31)/t23-/m1/s1
InChIKeyOBGCISVGZLIAHW-HSZRJFAPSA-N
MW470.53 g/mol
LogP5.38
Rot. Bonds4

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

2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (PubChem CID 124878912) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
PubChem CID124878912
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC Name2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O
InChIInChI=1S/C28H26N2O5/c1-14-13-34-24-12-25-19(10-18(14)24)15(2)20(28(32)35-25)11-26(31)29-23-6-4-5-17-21-9-16(33-3)7-8-22(21)30-27(17)23/h7-10,12-13,23,30H,4-6,11H2,1-3H3,(H,29,31)/t23-/m1/s1
InChIKeyOBGCISVGZLIAHW-HSZRJFAPSA-N
XLogP5.38
TPSA97.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (CID 124878912) is 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O.
What is the InChIKey of 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The InChIKey is OBGCISVGZLIAHW-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-14-13-34-24-12-25-19(10-18(14)24)15(2)20(28(32)35-25)11-26(31)29-23-6-4-5-17-21-9-16(33-3)7-8-22(21)30-27(17)23/h7-10,12-13,23,30H,4-6,11H2,1-3H3,(H,29,31)/t23-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide has a molecular weight of 470.53 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 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-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is sourced from PubChem (CID 124878912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).