2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide

About 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide

2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide (PubChem CID 163092743) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide.

Molecular Properties

Compound Name	2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide
PubChem CID	163092743
Molecular Formula	C25H27N3O5
Molecular Weight	449.51 g/mol
Exact Mass	449.20
IUPAC Name	2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide
SMILES	Cc1c(CC(=O)NCCN2CC3CC(C2)c2cccc(=O)n2C3)c(=O)oc2cc(O)ccc12
InChI	InChI=1S/C25H27N3O5/c1-15-19-6-5-18(29)10-22(19)33-25(32)20(15)11-23(30)26-7-8-27-12-16-9-17(14-27)21-3-2-4-24(31)28(21)13-16/h2-6,10,16-17,29H,7-9,11-14H2,1H3,(H,26,30)
InChIKey	RDJLNTNYJQEVSE-UHFFFAOYSA-N
XLogP	1.75
TPSA	104.78 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.51
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'cumarine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide?

The IUPAC name of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide (CID 163092743) is 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide.

What is the SMILES notation for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide?

The canonical SMILES for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide is Cc1c(CC(=O)NCCN2CC3CC(C2)c2cccc(=O)n2C3)c(=O)oc2cc(O)ccc12.

What is the InChIKey of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide?

The InChIKey is RDJLNTNYJQEVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-15-19-6-5-18(29)10-22(19)33-25(32)20(15)11-23(30)26-7-8-27-12-16-9-17(14-27)21-3-2-4-24(31)28(21)13-16/h2-6,10,16-17,29H,7-9,11-14H2,1H3,(H,26,30).

What are the key properties of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide?

2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide has a molecular weight of 449.51 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide is sourced from PubChem (CID 163092743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).