[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C26H25FN2O4 — CID 35975308

IUPAC[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H25FN2O4/c27-23-14-8-7-13-22(23)26(32)28-17-25(31)33-19-24(30)29(18-21-11-5-2-6-12-21)16-15-20-9-3-1-4-10-20/h1-14H,15-19H2,(H,28,32)
InChIKeyYPWSEOJBIDJQRI-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.37
Rot. Bonds10

About [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 35975308) has the molecular formula C26H25FN2O4 and a molecular weight of 448.49 g/mol. Its IUPAC name is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID35975308
Molecular FormulaC26H25FN2O4
Molecular Weight448.49 g/mol
Exact Mass448.18
IUPAC Name[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H25FN2O4/c27-23-14-8-7-13-22(23)26(32)28-17-25(31)33-19-24(30)29(18-21-11-5-2-6-12-21)16-15-20-9-3-1-4-10-20/h1-14H,15-19H2,(H,28,32)
InChIKeyYPWSEOJBIDJQRI-UHFFFAOYSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18267738
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602137
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270039
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide
CID 42703969
N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995050
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 55323049
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 35975308) is [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1F)OCC(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is YPWSEOJBIDJQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4/c27-23-14-8-7-13-22(23)26(32)28-17-25(31)33-19-24(30)29(18-21-11-5-2-6-12-21)16-15-20-9-3-1-4-10-20/h1-14H,15-19H2,(H,28,32).
What are the key properties of [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 448.49 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 35975308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).