[(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate

C19H21NO3 — CID 67657735

IUPAC[(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate
SMILESCC(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-14(17-11-7-4-8-12-17)20-19(22)18(23-15(2)21)13-16-9-5-3-6-10-16/h3-12,14,18H,13H2,1-2H3,(H,20,22)/t14-,18-/m0/s1
InChIKeyCRVJAFMASDNYQQ-KSSFIOAISA-N
MW311.38 g/mol
LogP3.04
Rot. Bonds6

About [(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate

[(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate (PubChem CID 67657735) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate
PubChem CID67657735
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate
SMILESCC(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-14(17-11-7-4-8-12-17)20-19(22)18(23-15(2)21)13-16-9-5-3-6-10-16/h3-12,14,18H,13H2,1-2H3,(H,20,22)/t14-,18-/m0/s1
InChIKeyCRVJAFMASDNYQQ-KSSFIOAISA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate with MolForge

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Related Compounds

2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 102395814
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-benzyl-N,N'-bis(1-phenylethyl)propanediamide
CID 3756499
ethane;(3-oxo-1-phenylbutan-2-yl) acetate
CID 143592709
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
3-amino-2-methoxy-N-(1-phenylethyl)propanamide
CID 106110983
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292
2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide
CID 59684320
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557
[(3R,4R)-5-phenyl-4-[[(1R)-1-phenylethyl]amino]pent-1-en-3-yl] acetate
CID 11484132

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate?
The IUPAC name of [(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate (CID 67657735) is [(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate?
The canonical SMILES for [(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate is CC(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of [(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate?
The InChIKey is CRVJAFMASDNYQQ-KSSFIOAISA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(17-11-7-4-8-12-17)20-19(22)18(23-15(2)21)13-16-9-5-3-6-10-16/h3-12,14,18H,13H2,1-2H3,(H,20,22)/t14-,18-/m0/s1.
What are the key properties of [(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate?
[(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate has a molecular weight of 311.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-3-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] acetate is sourced from PubChem (CID 67657735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).