[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate

C26H27NO3 — CID 8578724

IUPAC[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate
SMILESC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C26H27NO3/c1-19(21-12-6-3-7-13-21)18-27-25(28)20(2)30-26(29)24(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20,24H,18H2,1-2H3,(H,27,28)/t19-,20-/m0/s1
InChIKeyDICQOKNUCPDWPQ-PMACEKPBSA-N
MW401.51 g/mol
LogP4.67
Rot. Bonds8

About [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate

[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate (PubChem CID 8578724) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate
PubChem CID8578724
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate
SMILESC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C26H27NO3/c1-19(21-12-6-3-7-13-21)18-27-25(28)20(2)30-26(29)24(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20,24H,18H2,1-2H3,(H,27,28)/t19-,20-/m0/s1
InChIKeyDICQOKNUCPDWPQ-PMACEKPBSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate
CID 30535420
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-hydroxybenzoate
CID 7797799
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 4-benzoylbenzoate
CID 7203753
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 2520831
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
CID 119270188
[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927333
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7567707
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611777

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate?
The IUPAC name of [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate (CID 8578724) is [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate.
What is the SMILES notation for [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate?
The canonical SMILES for [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate is C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC[C@H](C)c1ccccc1.
What is the InChIKey of [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate?
The InChIKey is DICQOKNUCPDWPQ-PMACEKPBSA-N. The full InChI is InChI=1S/C26H27NO3/c1-19(21-12-6-3-7-13-21)18-27-25(28)20(2)30-26(29)24(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20,24H,18H2,1-2H3,(H,27,28)/t19-,20-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate?
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate has a molecular weight of 401.51 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate is sourced from PubChem (CID 8578724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).