N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide

C15H15NO3 — CID 144663710

IUPACN-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide
SMILESCc1cc(=O)c(CNC(=O)c2ccccc2)c(C)o1
InChIInChI=1S/C15H15NO3/c1-10-8-14(17)13(11(2)19-10)9-16-15(18)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyRNPGCFXWZUBWAL-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.19
Rot. Bonds3

About N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide

N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide (PubChem CID 144663710) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide
PubChem CID144663710
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide
SMILESCc1cc(=O)c(CNC(=O)c2ccccc2)c(C)o1
InChIInChI=1S/C15H15NO3/c1-10-8-14(17)13(11(2)19-10)9-16-15(18)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyRNPGCFXWZUBWAL-UHFFFAOYSA-N
XLogP2.19
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide?
The IUPAC name of N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide (CID 144663710) is N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide.
What is the SMILES notation for N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide?
The canonical SMILES for N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide is Cc1cc(=O)c(CNC(=O)c2ccccc2)c(C)o1.
What is the InChIKey of N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide?
The InChIKey is RNPGCFXWZUBWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-8-14(17)13(11(2)19-10)9-16-15(18)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide?
N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide has a molecular weight of 257.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide is sourced from PubChem (CID 144663710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).