2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide

C15H19N3O2 — CID 62404547

IUPAC2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O2/c1-3-8-17-15(20)11(2)18-14(19)9-12-4-6-13(10-16)7-5-12/h4-7,11H,3,8-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYHEMVHOPYXDOQI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.13
Rot. Bonds6

About 2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide

2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide (PubChem CID 62404547) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide
PubChem CID62404547
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O2/c1-3-8-17-15(20)11(2)18-14(19)9-12-4-6-13(10-16)7-5-12/h4-7,11H,3,8-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYHEMVHOPYXDOQI-UHFFFAOYSA-N
XLogP1.13
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 8733082
2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide
CID 115599662
2-(4-cyanophenyl)-N-heptan-2-ylacetamide
CID 62404717
2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide
CID 55259609
N-butyl-2-[(4-cyanophenyl)methylamino]propanamide
CID 54936803
2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 103944313
3-cyano-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46820237
3-[[2-(4-cyanophenyl)acetyl]amino]butanamide
CID 115664791
2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
CID 113245290
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
N-[2-[3-(4-cyanophenyl)propanoylamino]ethyl]-2-methylpropanamide
CID 33121519
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide (CID 62404547) is 2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide?
The InChIKey is YHEMVHOPYXDOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-8-17-15(20)11(2)18-14(19)9-12-4-6-13(10-16)7-5-12/h4-7,11H,3,8-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide?
2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 62404547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).