N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide

C17H23NO3 — CID 69056639

IUPACN-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide
SMILESCC(=O)NC1CC2(CCC2)Oc2c(C)c(C)c(O)c(C)c21
InChIInChI=1S/C17H23NO3/c1-9-10(2)16-14(11(3)15(9)20)13(18-12(4)19)8-17(21-16)6-5-7-17/h13,20H,5-8H2,1-4H3,(H,18,19)
InChIKeyPUPSVQSUEINTDT-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.20
Rot. Bonds1

About N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide

N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide (PubChem CID 69056639) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide
PubChem CID69056639
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide
SMILESCC(=O)NC1CC2(CCC2)Oc2c(C)c(C)c(O)c(C)c21
InChIInChI=1S/C17H23NO3/c1-9-10(2)16-14(11(3)15(9)20)13(18-12(4)19)8-17(21-16)6-5-7-17/h13,20H,5-8H2,1-4H3,(H,18,19)
InChIKeyPUPSVQSUEINTDT-UHFFFAOYSA-N
XLogP3.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide?
The IUPAC name of N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide (CID 69056639) is N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide.
What is the SMILES notation for N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide?
The canonical SMILES for N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide is CC(=O)NC1CC2(CCC2)Oc2c(C)c(C)c(O)c(C)c21.
What is the InChIKey of N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide?
The InChIKey is PUPSVQSUEINTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-9-10(2)16-14(11(3)15(9)20)13(18-12(4)19)8-17(21-16)6-5-7-17/h13,20H,5-8H2,1-4H3,(H,18,19).
What are the key properties of N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide?
N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-5,7,8-trimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)acetamide is sourced from PubChem (CID 69056639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).