N-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide

C17H19NO4 — CID 4911805

IUPACN-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide
SMILESCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CC3)c12
InChIInChI=1S/C17H19NO4/c1-3-11-8-16(20)22-14-7-10(2)6-13(17(11)14)21-9-15(19)18-12-4-5-12/h6-8,12H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyPVPTVYCBQCQWGA-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.32
Rot. Bonds5

About N-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide

N-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide (PubChem CID 4911805) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide
PubChem CID4911805
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide
SMILESCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CC3)c12
InChIInChI=1S/C17H19NO4/c1-3-11-8-16(20)22-14-7-10(2)6-13(17(11)14)21-9-15(19)18-12-4-5-12/h6-8,12H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyPVPTVYCBQCQWGA-UHFFFAOYSA-N
XLogP2.32
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.32
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-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide?
The IUPAC name of N-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide (CID 4911805) is N-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide is CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CC3)c12.
What is the InChIKey of N-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide?
The InChIKey is PVPTVYCBQCQWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-11-8-16(20)22-14-7-10(2)6-13(17(11)14)21-9-15(19)18-12-4-5-12/h6-8,12H,3-5,9H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide?
N-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide has a molecular weight of 301.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide is sourced from PubChem (CID 4911805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).