N-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide

C16H17NO4 — CID 4900945

IUPACN-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NC2CC2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C16H17NO4/c1-9-5-12(20-8-14(18)17-11-3-4-11)16-10(2)7-15(19)21-13(16)6-9/h5-7,11H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyRCGCRFBCDHSVID-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.07
Rot. Bonds4

About N-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide

N-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide (PubChem CID 4900945) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
PubChem CID4900945
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC NameN-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NC2CC2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C16H17NO4/c1-9-5-12(20-8-14(18)17-11-3-4-11)16-10(2)7-15(19)21-13(16)6-9/h5-7,11H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyRCGCRFBCDHSVID-UHFFFAOYSA-N
XLogP2.07
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.07
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-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The IUPAC name of N-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide (CID 4900945) is N-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The canonical SMILES for N-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide is Cc1cc(OCC(=O)NC2CC2)c2c(C)cc(=O)oc2c1.
What is the InChIKey of N-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
The InChIKey is RCGCRFBCDHSVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-9-5-12(20-8-14(18)17-11-3-4-11)16-10(2)7-15(19)21-13(16)6-9/h5-7,11H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide?
N-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide has a molecular weight of 287.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide is sourced from PubChem (CID 4900945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).