N-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide

C15H21NO4 — CID 90650524

IUPACN-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide
SMILESCCN(CC1CCCCO1)C(=O)c1cc(=O)cc(C)o1
InChIInChI=1S/C15H21NO4/c1-3-16(10-13-6-4-5-7-19-13)15(18)14-9-12(17)8-11(2)20-14/h8-9,13H,3-7,10H2,1-2H3
InChIKeyLFRRCHYIUTYKMR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.98
Rot. Bonds4

About N-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide

N-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide (PubChem CID 90650524) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide
PubChem CID90650524
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide
SMILESCCN(CC1CCCCO1)C(=O)c1cc(=O)cc(C)o1
InChIInChI=1S/C15H21NO4/c1-3-16(10-13-6-4-5-7-19-13)15(18)14-9-12(17)8-11(2)20-14/h8-9,13H,3-7,10H2,1-2H3
InChIKeyLFRRCHYIUTYKMR-UHFFFAOYSA-N
XLogP1.98
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide?
The IUPAC name of N-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide (CID 90650524) is N-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide?
The canonical SMILES for N-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide is CCN(CC1CCCCO1)C(=O)c1cc(=O)cc(C)o1.
What is the InChIKey of N-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide?
The InChIKey is LFRRCHYIUTYKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-16(10-13-6-4-5-7-19-13)15(18)14-9-12(17)8-11(2)20-14/h8-9,13H,3-7,10H2,1-2H3.
What are the key properties of N-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide?
N-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-N-(oxan-2-ylmethyl)-4-oxopyran-2-carboxamide is sourced from PubChem (CID 90650524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).