3-[[2-(4-cyanophenyl)acetyl]amino]butanamide

C13H15N3O2 — CID 115664791

IUPAC3-[[2-(4-cyanophenyl)acetyl]amino]butanamide
SMILESCC(CC(N)=O)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H15N3O2/c1-9(6-12(15)17)16-13(18)7-10-2-4-11(8-14)5-3-10/h2-5,9H,6-7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyFIIYVVAAGPBZEN-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.48
Rot. Bonds5

About 3-[[2-(4-cyanophenyl)acetyl]amino]butanamide

3-[[2-(4-cyanophenyl)acetyl]amino]butanamide (PubChem CID 115664791) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[[2-(4-cyanophenyl)acetyl]amino]butanamide.

Molecular Properties

Compound Name3-[[2-(4-cyanophenyl)acetyl]amino]butanamide
PubChem CID115664791
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[[2-(4-cyanophenyl)acetyl]amino]butanamide
SMILESCC(CC(N)=O)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H15N3O2/c1-9(6-12(15)17)16-13(18)7-10-2-4-11(8-14)5-3-10/h2-5,9H,6-7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyFIIYVVAAGPBZEN-UHFFFAOYSA-N
XLogP0.48
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
CID 113245290
2-(4-cyanophenyl)-N-heptan-2-ylacetamide
CID 62404717
2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide
CID 55259609
methyl 2-[[2-(4-cyanophenyl)acetyl]amino]-4-methylpentanoate
CID 62403491
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 103944313
2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide
CID 62404547
2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide
CID 115599662
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 55033721
2-[4-[(4-cyanophenyl)sulfonylamino]phenyl]-N-propan-2-ylacetamide
CID 38943951
(2R)-4-amino-2-[(4-cyanophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 107827471
3-(4-cyano-2-fluoroanilino)butanamide
CID 115685019

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-cyanophenyl)acetyl]amino]butanamide?
The IUPAC name of 3-[[2-(4-cyanophenyl)acetyl]amino]butanamide (CID 115664791) is 3-[[2-(4-cyanophenyl)acetyl]amino]butanamide.
What is the SMILES notation for 3-[[2-(4-cyanophenyl)acetyl]amino]butanamide?
The canonical SMILES for 3-[[2-(4-cyanophenyl)acetyl]amino]butanamide is CC(CC(N)=O)NC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 3-[[2-(4-cyanophenyl)acetyl]amino]butanamide?
The InChIKey is FIIYVVAAGPBZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(6-12(15)17)16-13(18)7-10-2-4-11(8-14)5-3-10/h2-5,9H,6-7H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 3-[[2-(4-cyanophenyl)acetyl]amino]butanamide?
3-[[2-(4-cyanophenyl)acetyl]amino]butanamide has a molecular weight of 245.28 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-cyanophenyl)acetyl]amino]butanamide is sourced from PubChem (CID 115664791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).