2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide

C16H21N3O2 — CID 115599662

IUPAC2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-4-19(5-2)16(21)12(3)18-15(20)10-13-6-8-14(11-17)9-7-13/h6-9,12H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyWSARAVYDEYOXAS-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.47
Rot. Bonds6

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

2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide (PubChem CID 115599662) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide
PubChem CID115599662
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-4-19(5-2)16(21)12(3)18-15(20)10-13-6-8-14(11-17)9-7-13/h6-9,12H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyWSARAVYDEYOXAS-UHFFFAOYSA-N
XLogP1.47
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide
CID 62404547
2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide
CID 55259609
2-(4-cyanophenyl)-N-heptan-2-ylacetamide
CID 62404717
2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 103944313
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
CID 113245290
3-[[2-(4-cyanophenyl)acetyl]amino]butanamide
CID 115664791
2-(4-cyanophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 62404901
2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
CID 62404728
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide
CID 62403845
methyl 2-[[2-(4-cyanophenyl)acetyl]amino]-4-methylpentanoate
CID 62403491

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide (CID 115599662) is 2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide?
The InChIKey is WSARAVYDEYOXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-19(5-2)16(21)12(3)18-15(20)10-13-6-8-14(11-17)9-7-13/h6-9,12H,4-5,10H2,1-3H3,(H,18,20).
What are the key properties of 2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide?
2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide is sourced from PubChem (CID 115599662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).