[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate

C24H23NO4 — CID 7841449

IUPAC[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate
SMILESC[C@@H](OC(=O)CCOc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H23NO4/c1-18(29-23(26)16-17-28-20-12-6-3-7-13-20)24(27)25-22-15-9-8-14-21(22)19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeySGFOXUNINKFQHS-GOSISDBHSA-N
MW389.45 g/mol
LogP4.69
Rot. Bonds8

About [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate

[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate (PubChem CID 7841449) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate
PubChem CID7841449
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate
SMILESC[C@@H](OC(=O)CCOc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H23NO4/c1-18(29-23(26)16-17-28-20-12-6-3-7-13-20)24(27)25-22-15-9-8-14-21(22)19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeySGFOXUNINKFQHS-GOSISDBHSA-N
XLogP4.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate
CID 7980293
[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139840
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42969147
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791471
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-(carbamoylamino)propanoate
CID 8641965
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(4-ethylphenoxy)acetate
CID 18273755
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-phenylphenyl)propanamide
CID 8514606
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3-phenoxypropanoate
CID 9139857
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7729394
[1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 55316551
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139775
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-thiophen-3-ylpropanoate
CID 8654468

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate?
The IUPAC name of [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate (CID 7841449) is [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate?
The canonical SMILES for [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate is C[C@@H](OC(=O)CCOc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate?
The InChIKey is SGFOXUNINKFQHS-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23NO4/c1-18(29-23(26)16-17-28-20-12-6-3-7-13-20)24(27)25-22-15-9-8-14-21(22)19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,25,27)/t18-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate?
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate has a molecular weight of 389.45 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate is sourced from PubChem (CID 7841449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).