9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide

C18H23NO4 — CID 20916473

IUPAC9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide
SMILESCc1c(C(=O)NC(C)C)oc2ccc3c(c12)C(O)CC(C)(C)O3
InChIInChI=1S/C18H23NO4/c1-9(2)19-17(21)16-10(3)14-12(22-16)6-7-13-15(14)11(20)8-18(4,5)23-13/h6-7,9,11,20H,8H2,1-5H3,(H,19,21)
InChIKeyWGDAYQAUMIJOSP-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.47
Rot. Bonds2

About 9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide

9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide (PubChem CID 20916473) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound Name9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide
PubChem CID20916473
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide
SMILESCc1c(C(=O)NC(C)C)oc2ccc3c(c12)C(O)CC(C)(C)O3
InChIInChI=1S/C18H23NO4/c1-9(2)19-17(21)16-10(3)14-12(22-16)6-7-13-15(14)11(20)8-18(4,5)23-13/h6-7,9,11,20H,8H2,1-5H3,(H,19,21)
InChIKeyWGDAYQAUMIJOSP-UHFFFAOYSA-N
XLogP3.47
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-hydroxy-1-methyl-N-propan-2-ylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide
CID 20887632
9-hydroxy-N-(3-methoxypropyl)-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclopentane]-2-carboxamide
CID 20916500
N-(2,3-dimethylcyclohexyl)-9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 20887674
9-hydroxy-1-methyl-N-(3-piperidin-1-ylpropyl)spiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 20916497
(9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone
CID 20916486
N-cyclopentyl-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886050
N-[(5-bromo-2-methoxyphenyl)methyl]-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886080
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-propan-2-ylurea
CID 11403735
1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886081
(4S)-4-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
CID 12039177
ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate
CID 6623148
1,7,7-trimethyl-N-propylfuro[3,2-f]chromene-2-carboxamide
CID 22509950

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide?
The IUPAC name of 9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide (CID 20916473) is 9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for 9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide?
The canonical SMILES for 9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide is Cc1c(C(=O)NC(C)C)oc2ccc3c(c12)C(O)CC(C)(C)O3.
What is the InChIKey of 9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide?
The InChIKey is WGDAYQAUMIJOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-9(2)19-17(21)16-10(3)14-12(22-16)6-7-13-15(14)11(20)8-18(4,5)23-13/h6-7,9,11,20H,8H2,1-5H3,(H,19,21).
What are the key properties of 9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide?
9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-1,7,7-trimethyl-N-propan-2-yl-8,9-dihydrofuro[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 20916473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).