[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate

C25H23NO5 — CID 2605686

IUPAC[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-17(27)20-12-14-21(15-13-20)26-24(28)18(2)31-25(29)22-10-6-7-11-23(22)30-16-19-8-4-3-5-9-19/h3-15,18H,16H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyFDTNTQASBFTAGL-GOSISDBHSA-N
MW417.46 g/mol
LogP4.65
Rot. Bonds8

About [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate

[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate (PubChem CID 2605686) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
PubChem CID2605686
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H23NO5/c1-17(27)20-12-14-21(15-13-20)26-24(28)18(2)31-25(29)22-10-6-7-11-23(22)30-16-19-8-4-3-5-9-19/h3-15,18H,16H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyFDTNTQASBFTAGL-GOSISDBHSA-N
XLogP4.65
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
CID 7240030
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718120
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 16522887
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 24686549
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718152
2-(4-acetylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4879204
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
CID 7514975
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606094
[(2S)-1-anilino-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196707
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
CID 8921710
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 4-methoxybenzoate
CID 7872698
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenyl)benzoate
CID 7522056

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate?
The IUPAC name of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate (CID 2605686) is [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate.
What is the SMILES notation for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate?
The canonical SMILES for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate is CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate?
The InChIKey is FDTNTQASBFTAGL-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23NO5/c1-17(27)20-12-14-21(15-13-20)26-24(28)18(2)31-25(29)22-10-6-7-11-23(22)30-16-19-8-4-3-5-9-19/h3-15,18H,16H2,1-2H3,(H,26,28)/t18-/m1/s1.
What are the key properties of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate?
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate has a molecular weight of 417.46 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate is sourced from PubChem (CID 2605686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).