[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate

C25H23NO5 — CID 8609105

IUPAC[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccccc1C=O)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO5/c1-18(31-23(28)17-30-22-15-9-8-14-21(22)16-27)25(29)26-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-16,18,24H,17H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyVCMQFPWTSKWXJB-GOSISDBHSA-N
MW417.46 g/mol
LogP3.72
Rot. Bonds9

About [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate

[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate (PubChem CID 8609105) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
PubChem CID8609105
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccccc1C=O)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO5/c1-18(31-23(28)17-30-22-15-9-8-14-21(22)16-27)25(29)26-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-16,18,24H,17H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyVCMQFPWTSKWXJB-GOSISDBHSA-N
XLogP3.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608468
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608938
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608944
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608700
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8609162
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(2-formylphenoxy)acetate
CID 8609129
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8609191
[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8609272
methyl 2-(2-formylphenoxy)acetate
CID 5151625
2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7762724
[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608739
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 9197744

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate?
The IUPAC name of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate (CID 8609105) is [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate?
The canonical SMILES for [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate is C[C@@H](OC(=O)COc1ccccc1C=O)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate?
The InChIKey is VCMQFPWTSKWXJB-GOSISDBHSA-N. The full InChI is InChI=1S/C25H23NO5/c1-18(31-23(28)17-30-22-15-9-8-14-21(22)16-27)25(29)26-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-16,18,24H,17H2,1H3,(H,26,29)/t18-/m1/s1.
What are the key properties of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate?
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate has a molecular weight of 417.46 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate is sourced from PubChem (CID 8609105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).