2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide

C14H15NO4 — CID 889783

IUPAC2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCc1c(C)c2ccc(OCC(N)=O)cc2oc1=O
InChIInChI=1S/C14H15NO4/c1-3-10-8(2)11-5-4-9(18-7-13(15)16)6-12(11)19-14(10)17/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyMXGHLXCDXOXMFI-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.53
Rot. Bonds4

About 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide

2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 889783) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID889783
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCc1c(C)c2ccc(OCC(N)=O)cc2oc1=O
InChIInChI=1S/C14H15NO4/c1-3-10-8(2)11-5-4-9(18-7-13(15)16)6-12(11)19-14(10)17/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyMXGHLXCDXOXMFI-UHFFFAOYSA-N
XLogP1.53
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 889783) is 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide is CCc1c(C)c2ccc(OCC(N)=O)cc2oc1=O.
What is the InChIKey of 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is MXGHLXCDXOXMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-10-8(2)11-5-4-9(18-7-13(15)16)6-12(11)19-14(10)17/h4-6H,3,7H2,1-2H3,(H2,15,16).
What are the key properties of 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide?
2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 261.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 889783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).