[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate

C20H23NO4 — CID 7265946

IUPAC[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
SMILESCOc1ccccc1NC(=O)[C@H](C)OC(=O)C[C@H](C)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-14(16-9-5-4-6-10-16)13-19(22)25-15(2)20(23)21-17-11-7-8-12-18(17)24-3/h4-12,14-15H,13H2,1-3H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyJXEQKMMDEIBUQW-GJZGRUSLSA-N
MW341.41 g/mol
LogP3.76
Rot. Bonds7

About [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate (PubChem CID 7265946) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate.

Molecular Properties

Compound Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
PubChem CID7265946
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
SMILESCOc1ccccc1NC(=O)[C@H](C)OC(=O)C[C@H](C)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-14(16-9-5-4-6-10-16)13-19(22)25-15(2)20(23)21-17-11-7-8-12-18(17)24-3/h4-12,14-15H,13H2,1-3H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyJXEQKMMDEIBUQW-GJZGRUSLSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate
CID 7851261
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (3R)-3-phenylbutanoate
CID 7265743
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
CID 7265744
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] (3R)-3-phenylbutanoate
CID 7266013
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
CID 7266014
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (3R)-3-phenylbutanoate
CID 7266015
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598388
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8607795
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] (3R)-3-phenylbutanoate
CID 7266001
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273832
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763591
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8527947

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate?
The IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate (CID 7265946) is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate.
What is the SMILES notation for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate?
The canonical SMILES for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate is COc1ccccc1NC(=O)[C@H](C)OC(=O)C[C@H](C)c1ccccc1.
What is the InChIKey of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate?
The InChIKey is JXEQKMMDEIBUQW-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(16-9-5-4-6-10-16)13-19(22)25-15(2)20(23)21-17-11-7-8-12-18(17)24-3/h4-12,14-15H,13H2,1-3H3,(H,21,23)/t14-,15-/m0/s1.
What are the key properties of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate?
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate has a molecular weight of 341.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate is sourced from PubChem (CID 7265946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).