(2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate

C21H17NO5 — CID 16593715

IUPAC(2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)OC(C(N)=O)c3ccccc3)o2)cc1
InChIInChI=1S/C21H17NO5/c1-13(23)14-7-9-15(10-8-14)17-11-12-18(26-17)21(25)27-19(20(22)24)16-5-3-2-4-6-16/h2-12,19H,1H3,(H2,22,24)
InChIKeyMORHENMUDCAAPM-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.53
Rot. Bonds6

About (2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate

(2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 16593715) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID16593715
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)OC(C(N)=O)c3ccccc3)o2)cc1
InChIInChI=1S/C21H17NO5/c1-13(23)14-7-9-15(10-8-14)17-11-12-18(26-17)21(25)27-19(20(22)24)16-5-3-2-4-6-16/h2-12,19H,1H3,(H2,22,24)
InChIKeyMORHENMUDCAAPM-UHFFFAOYSA-N
XLogP3.53
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate (CID 16593715) is (2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate is CC(=O)c1ccc(-c2ccc(C(=O)OC(C(N)=O)c3ccccc3)o2)cc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is MORHENMUDCAAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c1-13(23)14-7-9-15(10-8-14)17-11-12-18(26-17)21(25)27-19(20(22)24)16-5-3-2-4-6-16/h2-12,19H,1H3,(H2,22,24).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate?
(2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 363.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 16593715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).