[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

C23H27NO5 — CID 8561650

IUPAC[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESC[C@@H](OC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C23H27NO5/c1-17(22(25)24-14-13-18-6-3-2-4-7-18)29-23(26)19-9-11-20(12-10-19)28-16-21-8-5-15-27-21/h2-4,6-7,9-12,17,21H,5,8,13-16H2,1H3,(H,24,25)/t17-,21-/m1/s1
InChIKeyBFGQEFIONVFWJP-DYESRHJHSA-N
MW397.47 g/mol
LogP3.15
Rot. Bonds9

About [(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate (PubChem CID 8561650) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
PubChem CID8561650
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESC[C@@H](OC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C23H27NO5/c1-17(22(25)24-14-13-18-6-3-2-4-7-18)29-23(26)19-9-11-20(12-10-19)28-16-21-8-5-15-27-21/h2-4,6-7,9-12,17,21H,5,8,13-16H2,1H3,(H,24,25)/t17-,21-/m1/s1
InChIKeyBFGQEFIONVFWJP-DYESRHJHSA-N
XLogP3.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate with MolForge

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Related Compounds

[1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-(oxolan-2-ylmethoxy)benzoate
CID 18091504
2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255918
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 8562904
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445362
2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255675
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 8562360
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 11925814
[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 8562745
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445216
N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 119548783
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2424310

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The IUPAC name of [(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate (CID 8561650) is [(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The canonical SMILES for [(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate is C[C@@H](OC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)NCCc1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The InChIKey is BFGQEFIONVFWJP-DYESRHJHSA-N. The full InChI is InChI=1S/C23H27NO5/c1-17(22(25)24-14-13-18-6-3-2-4-7-18)29-23(26)19-9-11-20(12-10-19)28-16-21-8-5-15-27-21/h2-4,6-7,9-12,17,21H,5,8,13-16H2,1H3,(H,24,25)/t17-,21-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate has a molecular weight of 397.47 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate is sourced from PubChem (CID 8561650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).