[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C19H21NO5 — CID 7433785

IUPAC[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C19H21NO5/c1-4-5-18(22)20-15-8-6-14(7-9-15)17(21)11-24-19(23)16-10-12(2)25-13(16)3/h6-10H,4-5,11H2,1-3H3,(H,20,22)
InChIKeyYDWARIGHGWYDER-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.67
Rot. Bonds7

About [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 7433785) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID7433785
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C19H21NO5/c1-4-5-18(22)20-15-8-6-14(7-9-15)17(21)11-24-19(23)16-10-12(2)25-13(16)3/h6-10H,4-5,11H2,1-3H3,(H,20,22)
InChIKeyYDWARIGHGWYDER-UHFFFAOYSA-N
XLogP3.67
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 7433785) is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is YDWARIGHGWYDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-5-18(22)20-15-8-6-14(7-9-15)17(21)11-24-19(23)16-10-12(2)25-13(16)3/h6-10H,4-5,11H2,1-3H3,(H,20,22).
What are the key properties of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 7433785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).