N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide

C12H19NO3 — CID 42930426

IUPACN-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCOCC(C)NC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C12H19NO3/c1-7(6-15-5)13-12(14)11-8(2)9(3)16-10(11)4/h7H,6H2,1-5H3,(H,13,14)
InChIKeyFXEXPBVFHDJJOB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.97
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide

N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 42930426) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID42930426
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCOCC(C)NC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C12H19NO3/c1-7(6-15-5)13-12(14)11-8(2)9(3)16-10(11)4/h7H,6H2,1-5H3,(H,13,14)
InChIKeyFXEXPBVFHDJJOB-UHFFFAOYSA-N
XLogP1.97
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide (CID 42930426) is N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide is COCC(C)NC(=O)c1c(C)oc(C)c1C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is FXEXPBVFHDJJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7(6-15-5)13-12(14)11-8(2)9(3)16-10(11)4/h7H,6H2,1-5H3,(H,13,14).
What are the key properties of N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide?
N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 42930426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).