[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

C25H26N2O4 — CID 8573479

IUPAC[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESC[C@@H](CNC(=O)COC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C25H26N2O4/c1-18(19-8-3-2-4-9-19)15-26-24(29)17-31-25(30)16-27-23(28)14-21-12-7-11-20-10-5-6-13-22(20)21/h2-13,18H,14-17H2,1H3,(H,26,29)(H,27,28)/t18-/m0/s1
InChIKeyPHUWNVGBKHMKKM-SFHVURJKSA-N
MW418.49 g/mol
LogP2.96
Rot. Bonds9

About [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (PubChem CID 8573479) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
PubChem CID8573479
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESC[C@@H](CNC(=O)COC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C25H26N2O4/c1-18(19-8-3-2-4-9-19)15-26-24(29)17-31-25(30)16-27-23(28)14-21-12-7-11-20-10-5-6-13-22(20)21/h2-13,18H,14-17H2,1H3,(H,26,29)(H,27,28)/t18-/m0/s1
InChIKeyPHUWNVGBKHMKKM-SFHVURJKSA-N
XLogP2.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270039
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574122
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate
CID 7703814
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843451
benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
CID 7980388
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-naphthalen-1-ylacetamide
CID 41318235
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574218
[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573254
[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 9070919
[2-oxo-2-(2-phenylpropylamino)ethyl] 4-(acetamidomethyl)benzoate
CID 18195635
[2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587509

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The IUPAC name of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (CID 8573479) is [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is C[C@@H](CNC(=O)COC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The InChIKey is PHUWNVGBKHMKKM-SFHVURJKSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-18(19-8-3-2-4-9-19)15-26-24(29)17-31-25(30)16-27-23(28)14-21-12-7-11-20-10-5-6-13-22(20)21/h2-13,18H,14-17H2,1H3,(H,26,29)(H,27,28)/t18-/m0/s1.
What are the key properties of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate has a molecular weight of 418.49 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is sourced from PubChem (CID 8573479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).