N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide

C16H17NO3 — CID 70275638

IUPACN-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide
SMILESCOC1=CCC=C2OC3=CCC(NC(C)=O)C=C3C=C12
InChIInChI=1S/C16H17NO3/c1-10(18)17-12-6-7-14-11(8-12)9-13-15(19-2)4-3-5-16(13)20-14/h4-5,7-9,12H,3,6H2,1-2H3,(H,17,18)
InChIKeyRGFKDMHDNIESCR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.48
Rot. Bonds2

About N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide

N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide (PubChem CID 70275638) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide
PubChem CID70275638
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide
SMILESCOC1=CCC=C2OC3=CCC(NC(C)=O)C=C3C=C12
InChIInChI=1S/C16H17NO3/c1-10(18)17-12-6-7-14-11(8-12)9-13-15(19-2)4-3-5-16(13)20-14/h4-5,7-9,12H,3,6H2,1-2H3,(H,17,18)
InChIKeyRGFKDMHDNIESCR-UHFFFAOYSA-N
XLogP2.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide?
The IUPAC name of N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide (CID 70275638) is N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide.
What is the SMILES notation for N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide?
The canonical SMILES for N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide is COC1=CCC=C2OC3=CCC(NC(C)=O)C=C3C=C12.
What is the InChIKey of N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide?
The InChIKey is RGFKDMHDNIESCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10(18)17-12-6-7-14-11(8-12)9-13-15(19-2)4-3-5-16(13)20-14/h4-5,7-9,12H,3,6H2,1-2H3,(H,17,18).
What are the key properties of N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide?
N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-3,6-dihydro-2H-xanthen-2-yl)acetamide is sourced from PubChem (CID 70275638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).