N-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide

C15H15NO3 — CID 757690

IUPACN-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1ccccc1
InChIInChI=1S/C15H15NO3/c1-10-8-13(17)19-11(2)14(10)15(18)16-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyQZQTXKRPTCKKCC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.19
Rot. Bonds3

About N-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide

N-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 757690) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID757690
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1ccccc1
InChIInChI=1S/C15H15NO3/c1-10-8-13(17)19-11(2)14(10)15(18)16-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyQZQTXKRPTCKKCC-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-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 757690) is N-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is QZQTXKRPTCKKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-8-13(17)19-11(2)14(10)15(18)16-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of N-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide 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-benzyl-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 757690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).