1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide

C18H21NO3 — CID 22509950

IUPAC1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide
SMILESCCCNC(=O)c1oc2ccc3c(c2c1C)C=CC(C)(C)O3
InChIInChI=1S/C18H21NO3/c1-5-10-19-17(20)16-11(2)15-12-8-9-18(3,4)22-13(12)6-7-14(15)21-16/h6-9H,5,10H2,1-4H3,(H,19,20)
InChIKeyMVNCCSOLZDARQR-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.07
Rot. Bonds3

About 1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide

1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide (PubChem CID 22509950) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound Name1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide
PubChem CID22509950
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide
SMILESCCCNC(=O)c1oc2ccc3c(c2c1C)C=CC(C)(C)O3
InChIInChI=1S/C18H21NO3/c1-5-10-19-17(20)16-11(2)15-12-8-9-18(3,4)22-13(12)6-7-14(15)21-16/h6-9H,5,10H2,1-4H3,(H,19,20)
InChIKeyMVNCCSOLZDARQR-UHFFFAOYSA-N
XLogP4.07
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide?
The IUPAC name of 1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide (CID 22509950) is 1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for 1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide?
The canonical SMILES for 1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide is CCCNC(=O)c1oc2ccc3c(c2c1C)C=CC(C)(C)O3.
What is the InChIKey of 1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide?
The InChIKey is MVNCCSOLZDARQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-5-10-19-17(20)16-11(2)15-12-8-9-18(3,4)22-13(12)6-7-14(15)21-16/h6-9H,5,10H2,1-4H3,(H,19,20).
What are the key properties of 1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide?
1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 22509950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).