[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate

C24H23NO5 — CID 8950868

IUPAC[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)NCCc3ccccc3)o2)cc1
InChIInChI=1S/C24H23NO5/c1-16(26)19-8-10-20(11-9-19)21-12-13-22(30-21)24(28)29-17(2)23(27)25-15-14-18-6-4-3-5-7-18/h3-13,17H,14-15H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyHWPZXZSZEQGTQB-KRWDZBQOSA-N
MW405.45 g/mol
LogP4.05
Rot. Bonds8

About [(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate

[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 8950868) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID8950868
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)NCCc3ccccc3)o2)cc1
InChIInChI=1S/C24H23NO5/c1-16(26)19-8-10-20(11-9-19)21-12-13-22(30-21)24(28)29-17(2)23(27)25-15-14-18-6-4-3-5-7-18/h3-13,17H,14-15H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyHWPZXZSZEQGTQB-KRWDZBQOSA-N
XLogP4.05
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)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

[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950966
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727900
[1-(cycloheptylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18091724
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727975
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8951023
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727944
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 43015008
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950941
(2-amino-2-oxo-1-phenylethyl) 5-(4-acetylphenyl)furan-2-carboxylate
CID 16593715
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate
CID 8995585
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 16572310
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate (CID 8950868) is [(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate is CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)NCCc3ccccc3)o2)cc1.
What is the InChIKey of [(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is HWPZXZSZEQGTQB-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23NO5/c1-16(26)19-8-10-20(11-9-19)21-12-13-22(30-21)24(28)29-17(2)23(27)25-15-14-18-6-4-3-5-7-18/h3-13,17H,14-15H2,1-2H3,(H,25,27)/t17-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 8950868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).