1-phenylethyl 3-(furan-2-carbonylamino)benzoate

C20H17NO4 — CID 78793343

IUPAC1-phenylethyl 3-(furan-2-carbonylamino)benzoate
SMILESCC(OC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1
InChIInChI=1S/C20H17NO4/c1-14(15-7-3-2-4-8-15)25-20(23)16-9-5-10-17(13-16)21-19(22)18-11-6-12-24-18/h2-14H,1H3,(H,21,22)
InChIKeyVJHVDEUOCWAJEU-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.45
Rot. Bonds5

About 1-phenylethyl 3-(furan-2-carbonylamino)benzoate

1-phenylethyl 3-(furan-2-carbonylamino)benzoate (PubChem CID 78793343) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-phenylethyl 3-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name1-phenylethyl 3-(furan-2-carbonylamino)benzoate
PubChem CID78793343
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name1-phenylethyl 3-(furan-2-carbonylamino)benzoate
SMILESCC(OC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1
InChIInChI=1S/C20H17NO4/c1-14(15-7-3-2-4-8-15)25-20(23)16-9-5-10-17(13-16)21-19(22)18-11-6-12-24-18/h2-14H,1H3,(H,21,22)
InChIKeyVJHVDEUOCWAJEU-UHFFFAOYSA-N
XLogP4.45
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 40642570
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
methyl 3-(furan-2-carbonylcarbamoylamino)benzoate
CID 2806361
N-[3-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55822141
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
propan-2-yl 3-[(2-phenylacetyl)amino]benzoate
CID 23905172
(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119363496
N-[3-[1-(ethylamino)ethyl]phenyl]furan-2-carboxamide
CID 43507845
N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 55840397

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 3-(furan-2-carbonylamino)benzoate?
The IUPAC name of 1-phenylethyl 3-(furan-2-carbonylamino)benzoate (CID 78793343) is 1-phenylethyl 3-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for 1-phenylethyl 3-(furan-2-carbonylamino)benzoate?
The canonical SMILES for 1-phenylethyl 3-(furan-2-carbonylamino)benzoate is CC(OC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1.
What is the InChIKey of 1-phenylethyl 3-(furan-2-carbonylamino)benzoate?
The InChIKey is VJHVDEUOCWAJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-14(15-7-3-2-4-8-15)25-20(23)16-9-5-10-17(13-16)21-19(22)18-11-6-12-24-18/h2-14H,1H3,(H,21,22).
What are the key properties of 1-phenylethyl 3-(furan-2-carbonylamino)benzoate?
1-phenylethyl 3-(furan-2-carbonylamino)benzoate has a molecular weight of 335.36 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 3-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 78793343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).