1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide

C18H21NO4 — CID 6623272

IUPAC1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCCCNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(C)O3
InChIInChI=1S/C18H21NO4/c1-5-8-19-17(21)16-10(2)14-12(22-16)6-7-13-15(14)11(20)9-18(3,4)23-13/h6-7H,5,8-9H2,1-4H3,(H,19,21)
InChIKeyYSTYEXYMEUJSIO-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.62
Rot. Bonds3

About 1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide

1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide (PubChem CID 6623272) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound Name1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide
PubChem CID6623272
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCCCNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(C)O3
InChIInChI=1S/C18H21NO4/c1-5-8-19-17(21)16-10(2)14-12(22-16)6-7-13-15(14)11(20)9-18(3,4)23-13/h6-7H,5,8-9H2,1-4H3,(H,19,21)
InChIKeyYSTYEXYMEUJSIO-UHFFFAOYSA-N
XLogP3.62
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide?
The IUPAC name of 1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide (CID 6623272) is 1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for 1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide?
The canonical SMILES for 1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide is CCCNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(C)O3.
What is the InChIKey of 1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide?
The InChIKey is YSTYEXYMEUJSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-5-8-19-17(21)16-10(2)14-12(22-16)6-7-13-15(14)11(20)9-18(3,4)23-13/h6-7H,5,8-9H2,1-4H3,(H,19,21).
What are the key properties of 1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide?
1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-9-oxo-N-propyl-8H-furo[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 6623272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).