N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide

C16H13NO3 — CID 164598411

IUPACN-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide
SMILESCC(=O)N(C)c1ccc2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C16H13NO3/c1-10(18)17(2)11-7-8-13-12-5-3-4-6-14(12)16(19)20-15(13)9-11/h3-9H,1-2H3
InChIKeyQGDXSDXLIGDBND-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.93
Rot. Bonds1

About N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide

N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide (PubChem CID 164598411) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide
PubChem CID164598411
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC NameN-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide
SMILESCC(=O)N(C)c1ccc2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C16H13NO3/c1-10(18)17(2)11-7-8-13-12-5-3-4-6-14(12)16(19)20-15(13)9-11/h3-9H,1-2H3
InChIKeyQGDXSDXLIGDBND-UHFFFAOYSA-N
XLogP2.93
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide?
The IUPAC name of N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide (CID 164598411) is N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide.
What is the SMILES notation for N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide?
The canonical SMILES for N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide is CC(=O)N(C)c1ccc2c(c1)oc(=O)c1ccccc12.
What is the InChIKey of N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide?
The InChIKey is QGDXSDXLIGDBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10(18)17(2)11-7-8-13-12-5-3-4-6-14(12)16(19)20-15(13)9-11/h3-9H,1-2H3.
What are the key properties of N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide?
N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide has a molecular weight of 267.28 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-oxobenzo[c]chromen-3-yl)acetamide is sourced from PubChem (CID 164598411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).