N-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide

C19H17NO5 — CID 2197659

IUPACN-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCOc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NC3CC3)ccc12
InChIInChI=1S/C19H17NO5/c1-23-12-4-6-14-15-7-5-13(24-10-18(21)20-11-2-3-11)9-17(15)25-19(22)16(14)8-12/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChIKeyGZCACHGXLYYNKF-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.61
Rot. Bonds5

About N-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide

N-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide (PubChem CID 2197659) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
PubChem CID2197659
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC NameN-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCOc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NC3CC3)ccc12
InChIInChI=1S/C19H17NO5/c1-23-12-4-6-14-15-7-5-13(24-10-18(21)20-11-2-3-11)9-17(15)25-19(22)16(14)8-12/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChIKeyGZCACHGXLYYNKF-UHFFFAOYSA-N
XLogP2.61
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_A(2)', 'substructure': 'N/A'}, {'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-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The IUPAC name of N-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide (CID 2197659) is N-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide.
What is the SMILES notation for N-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The canonical SMILES for N-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide is COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NC3CC3)ccc12.
What is the InChIKey of N-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The InChIKey is GZCACHGXLYYNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-12-4-6-14-15-7-5-13(24-10-18(21)20-11-2-3-11)9-17(15)25-19(22)16(14)8-12/h4-9,11H,2-3,10H2,1H3,(H,20,21).
What are the key properties of N-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
N-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide has a molecular weight of 339.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide is sourced from PubChem (CID 2197659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).