[(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate

C21H19NO4 — CID 1431793

IUPAC[(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
SMILESCc1ccc(CNC(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO4/c1-15-9-11-16(12-10-15)14-22-20(23)19(17-6-3-2-4-7-17)26-21(24)18-8-5-13-25-18/h2-13,19H,14H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyRCKTWNASUPYVER-LJQANCHMSA-N
MW349.39 g/mol
LogP3.80
Rot. Bonds6

About [(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate

[(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate (PubChem CID 1431793) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
PubChem CID1431793
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name[(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
SMILESCc1ccc(CNC(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO4/c1-15-9-11-16(12-10-15)14-22-20(23)19(17-6-3-2-4-7-17)26-21(24)18-8-5-13-25-18/h2-13,19H,14H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyRCKTWNASUPYVER-LJQANCHMSA-N
XLogP3.80
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] 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

[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1432029
[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 51508279
[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687864
[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687865
[(2S)-3-methyl-1-[(4-methylphenyl)methylamino]-1-oxobutan-2-yl] furan-2-carboxylate
CID 1431782
[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1470080
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 7486663
[(1S)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 51686573
[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
CID 24792279
[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
CID 647241
[(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 7486666

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate?
The IUPAC name of [(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate (CID 1431793) is [(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate.
What is the SMILES notation for [(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate?
The canonical SMILES for [(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate is Cc1ccc(CNC(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate?
The InChIKey is RCKTWNASUPYVER-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19NO4/c1-15-9-11-16(12-10-15)14-22-20(23)19(17-6-3-2-4-7-17)26-21(24)18-8-5-13-25-18/h2-13,19H,14H2,1H3,(H,22,23)/t19-/m1/s1.
What are the key properties of [(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate?
[(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate is sourced from PubChem (CID 1431793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).