[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate

C21H23NO5 — CID 7229778

IUPAC[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
SMILESCC[C@H](Oc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H23NO5/c1-4-19(27-18-8-6-5-7-9-18)21(25)26-15(3)20(24)22-17-12-10-16(11-13-17)14(2)23/h5-13,15,19H,4H2,1-3H3,(H,22,24)/t15-,19-/m0/s1
InChIKeyKAEPRVLEZBMNQV-KXBFYZLASA-N
MW369.42 g/mol
LogP3.62
Rot. Bonds8

About [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate (PubChem CID 7229778) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate.

Molecular Properties

Compound Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
PubChem CID7229778
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
SMILESCC[C@H](Oc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H23NO5/c1-4-19(27-18-8-6-5-7-9-18)21(25)26-15(3)20(24)22-17-12-10-16(11-13-17)14(2)23/h5-13,15,19H,4H2,1-3H3,(H,22,24)/t15-,19-/m0/s1
InChIKeyKAEPRVLEZBMNQV-KXBFYZLASA-N
XLogP3.62
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate with MolForge

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Related Compounds

[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
CID 7149760
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate
CID 7229925
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821160
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842308
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 2397766
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7185654
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 7810977
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833485
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (2R)-2-phenoxybutanoate
CID 8841250
2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide
CID 4929836
[(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate
CID 8939352

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate?
The IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate (CID 7229778) is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate.
What is the SMILES notation for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate?
The canonical SMILES for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate is CC[C@H](Oc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate?
The InChIKey is KAEPRVLEZBMNQV-KXBFYZLASA-N. The full InChI is InChI=1S/C21H23NO5/c1-4-19(27-18-8-6-5-7-9-18)21(25)26-15(3)20(24)22-17-12-10-16(11-13-17)14(2)23/h5-13,15,19H,4H2,1-3H3,(H,22,24)/t15-,19-/m0/s1.
What are the key properties of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate?
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate has a molecular weight of 369.42 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate is sourced from PubChem (CID 7229778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).