[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

C24H24N2O5 — CID 8578883

IUPAC[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H24N2O5/c1-16-10-12-19(13-11-16)25-22(27)17(2)31-24(29)20(15-18-7-4-3-5-8-18)26-23(28)21-9-6-14-30-21/h3-14,17,20H,15H2,1-2H3,(H,25,27)(H,26,28)/t17-,20-/m0/s1
InChIKeyJZDGDTJAIMAYNJ-PXNSSMCTSA-N
MW420.47 g/mol
LogP3.50
Rot. Bonds8

About [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 8578883) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID8578883
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H24N2O5/c1-16-10-12-19(13-11-16)25-22(27)17(2)31-24(29)20(15-18-7-4-3-5-8-18)26-23(28)21-9-6-14-30-21/h3-14,17,20H,15H2,1-2H3,(H,25,27)(H,26,28)/t17-,20-/m0/s1
InChIKeyJZDGDTJAIMAYNJ-PXNSSMCTSA-N
XLogP3.50
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate with MolForge

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Related Compounds

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578880
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578902
N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 46686822
2-(4-methylphenoxy)ethyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578888
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8937831
N-[(2S)-1-(4-methylsulfanylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 9153890
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567083
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566259
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55925984

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 8578883) is [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1.
What is the InChIKey of [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is JZDGDTJAIMAYNJ-PXNSSMCTSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-16-10-12-19(13-11-16)25-22(27)17(2)31-24(29)20(15-18-7-4-3-5-8-18)26-23(28)21-9-6-14-30-21/h3-14,17,20H,15H2,1-2H3,(H,25,27)(H,26,28)/t17-,20-/m0/s1.
What are the key properties of [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 420.47 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 8578883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).