[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate

C21H21N3O5 — CID 7214746

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate
SMILESO=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C21H21N3O5/c25-18(24-12-11-22-21(24)28)14-29-19(26)13-17(15-7-3-1-4-8-15)23-20(27)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,28)(H,23,27)/t17-/m0/s1
InChIKeyPIZHHQGQXVTUKX-KRWDZBQOSA-N
MW395.42 g/mol
LogP1.64
Rot. Bonds7

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate (PubChem CID 7214746) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate
PubChem CID7214746
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate
SMILESO=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCC(=O)N1CCNC1=O
InChIInChI=1S/C21H21N3O5/c25-18(24-12-11-22-21(24)28)14-29-19(26)13-17(15-7-3-1-4-8-15)23-20(27)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,28)(H,23,27)/t17-/m0/s1
InChIKeyPIZHHQGQXVTUKX-KRWDZBQOSA-N
XLogP1.64
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-morpholin-4-yl-2-oxoethyl) (3S)-3-benzamido-3-phenylpropanoate
CID 7221898
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-phenylacetate
CID 7874639
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
[2-(dimethylamino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 7214743
[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214693
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-phenylphenyl)acetate
CID 8009631
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
cyanomethyl (3R)-3-benzamido-3-phenylpropanoate
CID 7214927
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 16503850
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214914
naphthalen-1-ylmethyl (3S)-3-benzamido-3-phenylpropanoate
CID 7221887

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate (CID 7214746) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate is O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate?
The InChIKey is PIZHHQGQXVTUKX-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21N3O5/c25-18(24-12-11-22-21(24)28)14-29-19(26)13-17(15-7-3-1-4-8-15)23-20(27)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,28)(H,23,27)/t17-/m0/s1.
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate has a molecular weight of 395.42 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 7214746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).