3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide

C15H23NO4 — CID 89390543

IUPAC3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide
SMILESCCCCNC(=O)c1oc(C)cc(=O)c1OCCCC
InChIInChI=1S/C15H23NO4/c1-4-6-8-16-15(18)14-13(19-9-7-5-2)12(17)10-11(3)20-14/h10H,4-9H2,1-3H3,(H,16,18)
InChIKeyQMOFFQPNLRBXRG-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.66
Rot. Bonds8

About 3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide

3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 89390543) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide
PubChem CID89390543
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide
SMILESCCCCNC(=O)c1oc(C)cc(=O)c1OCCCC
InChIInChI=1S/C15H23NO4/c1-4-6-8-16-15(18)14-13(19-9-7-5-2)12(17)10-11(3)20-14/h10H,4-9H2,1-3H3,(H,16,18)
InChIKeyQMOFFQPNLRBXRG-UHFFFAOYSA-N
XLogP2.66
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of 3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide (CID 89390543) is 3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for 3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for 3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide is CCCCNC(=O)c1oc(C)cc(=O)c1OCCCC.
What is the InChIKey of 3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is QMOFFQPNLRBXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-6-8-16-15(18)14-13(19-9-7-5-2)12(17)10-11(3)20-14/h10H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide?
3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 281.35 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 89390543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).