N-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide

C17H19NO4 — CID 2090716

IUPACN-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NC1CCCCC1
InChIInChI=1S/C17H19NO4/c19-16(18-13-4-2-1-3-5-13)11-21-14-8-6-12-7-9-17(20)22-15(12)10-14/h6-10,13H,1-5,11H2,(H,18,19)
InChIKeyNAQFZEDEMWYGOO-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.62
Rot. Bonds4

About N-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide

N-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 2090716) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID2090716
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NC1CCCCC1
InChIInChI=1S/C17H19NO4/c19-16(18-13-4-2-1-3-5-13)11-21-14-8-6-12-7-9-17(20)22-15(12)10-14/h6-10,13H,1-5,11H2,(H,18,19)
InChIKeyNAQFZEDEMWYGOO-UHFFFAOYSA-N
XLogP2.62
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.62
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 N-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide (CID 2090716) is N-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is NAQFZEDEMWYGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c19-16(18-13-4-2-1-3-5-13)11-21-14-8-6-12-7-9-17(20)22-15(12)10-14/h6-10,13H,1-5,11H2,(H,18,19).
What are the key properties of N-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide?
N-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 301.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2090716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).