[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate

C21H24N2O4 — CID 7810977

IUPAC[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-4-19(16-8-6-5-7-9-16)21(26)27-14(2)20(25)23-18-12-10-17(11-13-18)22-15(3)24/h5-14,19H,4H2,1-3H3,(H,22,24)(H,23,25)/t14-,19+/m0/s1
InChIKeySCIHHXWGTACJID-IFXJQAMLSA-N
MW368.43 g/mol
LogP3.71
Rot. Bonds7

About [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate (PubChem CID 7810977) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate.

Molecular Properties

Compound Name[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
PubChem CID7810977
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-4-19(16-8-6-5-7-9-16)21(26)27-14(2)20(25)23-18-12-10-17(11-13-18)22-15(3)24/h5-14,19H,4H2,1-3H3,(H,22,24)(H,23,25)/t14-,19+/m0/s1
InChIKeySCIHHXWGTACJID-IFXJQAMLSA-N
XLogP3.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
CID 7810987
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 7811318
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-phenylbutanoate
CID 46629703
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
CID 8758830
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-phenylbutanoate
CID 46619032
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821160
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] propanoate
CID 7851109

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate?
The IUPAC name of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate (CID 7810977) is [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate.
What is the SMILES notation for [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate?
The canonical SMILES for [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate is CC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1)c1ccccc1.
What is the InChIKey of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate?
The InChIKey is SCIHHXWGTACJID-IFXJQAMLSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-19(16-8-6-5-7-9-16)21(26)27-14(2)20(25)23-18-12-10-17(11-13-18)22-15(3)24/h5-14,19H,4H2,1-3H3,(H,22,24)(H,23,25)/t14-,19+/m0/s1.
What are the key properties of [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate?
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate has a molecular weight of 368.43 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate is sourced from PubChem (CID 7810977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).