3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide

C19H26N4O2 — CID 68684792

IUPAC3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide
SMILESCC(C)(NC(=O)CCNCC(=O)N1CCCC1C#N)c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)
InChIKeyXUDJEDOIMGXNTK-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.53
Rot. Bonds7

About 3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide

3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide (PubChem CID 68684792) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide
PubChem CID68684792
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide
SMILESCC(C)(NC(=O)CCNCC(=O)N1CCCC1C#N)c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)
InChIKeyXUDJEDOIMGXNTK-UHFFFAOYSA-N
XLogP1.53
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-[2-(propylamino)acetyl]pyrrolidine-2-carbonitrile
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1-[2-[2-[2-oxo-3-(2-phenylethyl)imidazol-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 174718999
1-[2-(butylamino)acetyl]pyrrolidine-2-carbonitrile;ethane
CID 142063767
(2S)-1-[2-[3-(2-phenyl-1H-imidazol-5-yl)propylamino]acetyl]pyrrolidine-2-carbonitrile
CID 66763331
(2S)-1-[2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile
CID 66762942
1-[2-[2-[[6-(2-methoxyphenyl)-2-pyridinyl]amino]ethylamino]acetyl]pyrrolidine-2-carbonitrile
CID 22563300
2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-pyridin-4-ylacetamide
CID 69032484
1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile
CID 142063765
(2S)-1-[2-[2-[3-[2-(2-fluorophenyl)ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;oxalic acid
CID 44607037
oxalic acid;1-[2-[2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile
CID 56670496

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide?
The IUPAC name of 3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide (CID 68684792) is 3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide.
What is the SMILES notation for 3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide?
The canonical SMILES for 3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide is CC(C)(NC(=O)CCNCC(=O)N1CCCC1C#N)c1ccccc1.
What is the InChIKey of 3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide?
The InChIKey is XUDJEDOIMGXNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24).
What are the key properties of 3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide?
3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]-N-(2-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 68684792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).