[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate

C19H19NO5 — CID 3230502

IUPAC[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate
SMILESCCC(OC(=O)C1=Cc2ccccc2OC1)C(=O)NCc1ccco1
InChIInChI=1S/C19H19NO5/c1-2-16(18(21)20-11-15-7-5-9-23-15)25-19(22)14-10-13-6-3-4-8-17(13)24-12-14/h3-10,16H,2,11-12H2,1H3,(H,20,21)
InChIKeyCLXPNFSPSROCFE-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.69
Rot. Bonds6

About [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate

[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate (PubChem CID 3230502) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate
PubChem CID3230502
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate
SMILESCCC(OC(=O)C1=Cc2ccccc2OC1)C(=O)NCc1ccco1
InChIInChI=1S/C19H19NO5/c1-2-16(18(21)20-11-15-7-5-9-23-15)25-19(22)14-10-13-6-3-4-8-17(13)24-12-14/h3-10,16H,2,11-12H2,1H3,(H,20,21)
InChIKeyCLXPNFSPSROCFE-UHFFFAOYSA-N
XLogP2.69
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate?
The IUPAC name of [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate (CID 3230502) is [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate?
The canonical SMILES for [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate is CCC(OC(=O)C1=Cc2ccccc2OC1)C(=O)NCc1ccco1.
What is the InChIKey of [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate?
The InChIKey is CLXPNFSPSROCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-2-16(18(21)20-11-15-7-5-9-23-15)25-19(22)14-10-13-6-3-4-8-17(13)24-12-14/h3-10,16H,2,11-12H2,1H3,(H,20,21).
What are the key properties of [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate?
[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate has a molecular weight of 341.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 3230502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).