2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide

C16H13NO4 — CID 175862262

IUPAC2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide
SMILESCOc1ccc2c(c1)c(=O)oc1cc(CC(N)=O)ccc12
InChIInChI=1S/C16H13NO4/c1-20-10-3-5-11-12-4-2-9(7-15(17)18)6-14(12)21-16(19)13(11)8-10/h2-6,8H,7H2,1H3,(H2,17,18)
InChIKeyXOFHASDGXDPFGF-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.98
Rot. Bonds3

About 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide

2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide (PubChem CID 175862262) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide.

Molecular Properties

Compound Name2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide
PubChem CID175862262
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide
SMILESCOc1ccc2c(c1)c(=O)oc1cc(CC(N)=O)ccc12
InChIInChI=1S/C16H13NO4/c1-20-10-3-5-11-12-4-2-9(7-15(17)18)6-14(12)21-16(19)13(11)8-10/h2-6,8H,7H2,1H3,(H2,17,18)
InChIKeyXOFHASDGXDPFGF-UHFFFAOYSA-N
XLogP1.98
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 2906441
3-(3,3-dimethyl-2-oxobutoxy)-8-methoxybenzo[c]chromen-6-one
CID 1332673
8-methoxy-6-oxobenzo[c]chromene-3-carbaldehyde
CID 14104558
N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 1072484
[3-(2-aminoacetyl)oxy-6-oxobenzo[c]chromen-8-yl] 2-aminoacetate
CID 122686560
2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one
CID 167583154
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one
CID 2938022
3-[4-(diethylamino)butoxy]-8-methoxybenzo[c]chromen-6-one
CID 169099666

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide?
The IUPAC name of 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide (CID 175862262) is 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide.
What is the SMILES notation for 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide?
The canonical SMILES for 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide is COc1ccc2c(c1)c(=O)oc1cc(CC(N)=O)ccc12.
What is the InChIKey of 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide?
The InChIKey is XOFHASDGXDPFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-10-3-5-11-12-4-2-9(7-15(17)18)6-14(12)21-16(19)13(11)8-10/h2-6,8H,7H2,1H3,(H2,17,18).
What are the key properties of 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide?
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide has a molecular weight of 283.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide is sourced from PubChem (CID 175862262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).