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

C16H17NO3 — CID 3598422

IUPACN-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H17NO3/c1-11-9-14(18)20-12(2)15(11)16(19)17(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3
InChIKeyRDWNDRXLHDHOLB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.53
Rot. Bonds3

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

N-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide (PubChem CID 3598422) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide
PubChem CID3598422
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H17NO3/c1-11-9-14(18)20-12(2)15(11)16(19)17(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3
InChIKeyRDWNDRXLHDHOLB-UHFFFAOYSA-N
XLogP2.53
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide (CID 3598422) is N-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide?
The InChIKey is RDWNDRXLHDHOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-9-14(18)20-12(2)15(11)16(19)17(3)10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3.
What are the key properties of N-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide?
N-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 3598422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).