1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide

C20H23NO5 — CID 3238928

IUPAC1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)oc2ccc3c(c12)C(=O)CC(C)(C)O3
InChIInChI=1S/C20H23NO5/c1-11-16-14(6-7-15-17(16)13(22)9-20(2,3)26-15)25-18(11)19(23)21-10-12-5-4-8-24-12/h6-7,12H,4-5,8-10H2,1-3H3,(H,21,23)
InChIKeyYFHMPUFRVPAYFT-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.39
Rot. Bonds3

About 1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide

1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide (PubChem CID 3238928) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound Name1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
PubChem CID3238928
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCO2)oc2ccc3c(c12)C(=O)CC(C)(C)O3
InChIInChI=1S/C20H23NO5/c1-11-16-14(6-7-15-17(16)13(22)9-20(2,3)26-15)25-18(11)19(23)21-10-12-5-4-8-24-12/h6-7,12H,4-5,8-10H2,1-3H3,(H,21,23)
InChIKeyYFHMPUFRVPAYFT-UHFFFAOYSA-N
XLogP3.39
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide?
The IUPAC name of 1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide (CID 3238928) is 1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for 1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide?
The canonical SMILES for 1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide is Cc1c(C(=O)NCC2CCCO2)oc2ccc3c(c12)C(=O)CC(C)(C)O3.
What is the InChIKey of 1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide?
The InChIKey is YFHMPUFRVPAYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-11-16-14(6-7-15-17(16)13(22)9-20(2,3)26-15)25-18(11)19(23)21-10-12-5-4-8-24-12/h6-7,12H,4-5,8-10H2,1-3H3,(H,21,23).
What are the key properties of 1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide?
1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-9-oxo-N-(oxolan-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 3238928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).