[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate

C23H21NO4 — CID 7514975

IUPAC[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
SMILESC[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21NO4/c1-17(28-23(26)19-10-6-3-7-11-19)22(25)24-20-12-14-21(15-13-20)27-16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyRPJIISVBUGBKMU-QGZVFWFLSA-N
MW375.42 g/mol
LogP4.45
Rot. Bonds7

About [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate

[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate (PubChem CID 7514975) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
PubChem CID7514975
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
SMILESC[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21NO4/c1-17(28-23(26)19-10-6-3-7-11-19)22(25)24-20-12-14-21(15-13-20)27-16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyRPJIISVBUGBKMU-QGZVFWFLSA-N
XLogP4.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 4-methoxybenzoate
CID 7872698
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 3-chlorobenzoate
CID 7860029
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] pyridine-2-carboxylate
CID 7866567
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2,6-difluorobenzoate
CID 7725700
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
CID 7240030
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate
CID 46810938
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] (3S)-3-phenylbutanoate
CID 7227844
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385809
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 1-benzofuran-2-carboxylate
CID 7210575
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 14985162
2-(4-acetylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4879204
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549843

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate?
The IUPAC name of [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate (CID 7514975) is [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate?
The canonical SMILES for [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate is C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate?
The InChIKey is RPJIISVBUGBKMU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H21NO4/c1-17(28-23(26)19-10-6-3-7-11-19)22(25)24-20-12-14-21(15-13-20)27-16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H,24,25)/t17-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate?
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate has a molecular weight of 375.42 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate is sourced from PubChem (CID 7514975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).