[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate

C24H23NO6 — CID 16556449

IUPAC[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C24H23NO6/c1-2-6-23(27)25-18-11-9-17(10-12-18)21(26)16-30-24(28)22-14-13-20(31-22)15-29-19-7-4-3-5-8-19/h3-5,7-14H,2,6,15-16H2,1H3,(H,25,27)
InChIKeyFQUDYDZAGVYRHO-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.64
Rot. Bonds10

About [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate

[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate (PubChem CID 16556449) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
PubChem CID16556449
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(COc3ccccc3)o2)cc1
InChIInChI=1S/C24H23NO6/c1-2-6-23(27)25-18-11-9-17(10-12-18)21(26)16-30-24(28)22-14-13-20(31-22)15-29-19-7-4-3-5-8-19/h3-5,7-14H,2,6,15-16H2,1H3,(H,25,27)
InChIKeyFQUDYDZAGVYRHO-UHFFFAOYSA-N
XLogP4.64
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711
[2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468729
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 22830997
[2-(3-fluoroanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468702
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 8511107
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468795
[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7892996
[2-(2-chloroanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468770
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate
CID 7560736
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-iodobenzoate
CID 46805683
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 22829690

Frequently Asked Questions

What is the IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate (CID 16556449) is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate is CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(COc3ccccc3)o2)cc1.
What is the InChIKey of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is FQUDYDZAGVYRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6/c1-2-6-23(27)25-18-11-9-17(10-12-18)21(26)16-30-24(28)22-14-13-20(31-22)15-29-19-7-4-3-5-8-19/h3-5,7-14H,2,6,15-16H2,1H3,(H,25,27).
What are the key properties of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 16556449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).