4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide

C26H24N2O5 — CID 71584257

IUPAC4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide
SMILESCc1c(CC(=O)Nc2ccc(C(N)=O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4
InChIInChI=1S/C26H24N2O5/c1-13-18-11-20-17-5-3-4-6-21(17)32-24(20)14(2)23(18)33-26(31)19(13)12-22(29)28-16-9-7-15(8-10-16)25(27)30/h7-11H,3-6,12H2,1-2H3,(H2,27,30)(H,28,29)
InChIKeyPLMXHGFWJVNTGK-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.31
Rot. Bonds4

About 4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide

4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide (PubChem CID 71584257) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide
PubChem CID71584257
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide
SMILESCc1c(CC(=O)Nc2ccc(C(N)=O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4
InChIInChI=1S/C26H24N2O5/c1-13-18-11-20-17-5-3-4-6-21(17)32-24(20)14(2)23(18)33-26(31)19(13)12-22(29)28-16-9-7-15(8-10-16)25(27)30/h7-11H,3-6,12H2,1-2H3,(H2,27,30)(H,28,29)
InChIKeyPLMXHGFWJVNTGK-UHFFFAOYSA-N
XLogP4.31
TPSA115.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
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 4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide (CID 71584257) is 4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide is Cc1c(CC(=O)Nc2ccc(C(N)=O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4.
What is the InChIKey of 4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide?
The InChIKey is PLMXHGFWJVNTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-13-18-11-20-17-5-3-4-6-21(17)32-24(20)14(2)23(18)33-26(31)19(13)12-22(29)28-16-9-7-15(8-10-16)25(27)30/h7-11H,3-6,12H2,1-2H3,(H2,27,30)(H,28,29).
What are the key properties of 4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide?
4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide has a molecular weight of 444.49 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 71584257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).