2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide

C25H27NO5 — CID 135638858

IUPAC2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide
SMILESCc1cc(=O)c(O)c(C2(CC(=O)NCCc3ccc4ccccc4c3)CCOCC2)o1
InChIInChI=1S/C25H27NO5/c1-17-14-21(27)23(29)24(31-17)25(9-12-30-13-10-25)16-22(28)26-11-8-18-6-7-19-4-2-3-5-20(19)15-18/h2-7,14-15,29H,8-13,16H2,1H3,(H,26,28)
InChIKeyHAXWNNGNCDNBJC-UHFFFAOYSA-N
MW421.49 g/mol
LogP3.60
Rot. Bonds6

About 2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide

2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide (PubChem CID 135638858) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide
PubChem CID135638858
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide
SMILESCc1cc(=O)c(O)c(C2(CC(=O)NCCc3ccc4ccccc4c3)CCOCC2)o1
InChIInChI=1S/C25H27NO5/c1-17-14-21(27)23(29)24(31-17)25(9-12-30-13-10-25)16-22(28)26-11-8-18-6-7-19-4-2-3-5-20(19)15-18/h2-7,14-15,29H,8-13,16H2,1H3,(H,26,28)
InChIKeyHAXWNNGNCDNBJC-UHFFFAOYSA-N
XLogP3.60
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide (CID 135638858) is 2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide is Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3ccc4ccccc4c3)CCOCC2)o1.
What is the InChIKey of 2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide?
The InChIKey is HAXWNNGNCDNBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-17-14-21(27)23(29)24(31-17)25(9-12-30-13-10-25)16-22(28)26-11-8-18-6-7-19-4-2-3-5-20(19)15-18/h2-7,14-15,29H,8-13,16H2,1H3,(H,26,28).
What are the key properties of 2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide?
2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide has a molecular weight of 421.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 135638858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).