[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate

C25H25NO3 — CID 7703814

IUPAC[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate
SMILESC[C@H](CNC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-19(21-8-4-2-5-9-21)17-26-24(27)18-29-25(28)16-20-12-14-23(15-13-20)22-10-6-3-7-11-22/h2-15,19H,16-18H2,1H3,(H,26,27)/t19-/m1/s1
InChIKeyVMSPRYMAGAJAQJ-LJQANCHMSA-N
MW387.48 g/mol
LogP4.36
Rot. Bonds8

About [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate

[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate (PubChem CID 7703814) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate
PubChem CID7703814
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate
SMILESC[C@H](CNC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-19(21-8-4-2-5-9-21)17-26-24(27)18-29-25(28)16-20-12-14-23(15-13-20)22-10-6-3-7-11-22/h2-15,19H,16-18H2,1H3,(H,26,27)/t19-/m1/s1
InChIKeyVMSPRYMAGAJAQJ-LJQANCHMSA-N
XLogP4.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-naphthalen-1-ylacetate
CID 7867083
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133512
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573226
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 2099230
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate
CID 7971711
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8938266
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate
CID 7716846
[2-oxo-2-(2-phenylpropylamino)ethyl] 4-(acetamidomethyl)benzoate
CID 18195635
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573479
2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 7704066

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate (CID 7703814) is [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate is C[C@H](CNC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is VMSPRYMAGAJAQJ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H25NO3/c1-19(21-8-4-2-5-9-21)17-26-24(27)18-29-25(28)16-20-12-14-23(15-13-20)22-10-6-3-7-11-22/h2-15,19H,16-18H2,1H3,(H,26,27)/t19-/m1/s1.
What are the key properties of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate?
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 387.48 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 7703814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).