4-but-3-enoxy-N-(4-cyanophenyl)butanamide

C15H18N2O2 — CID 29005997

IUPAC4-but-3-enoxy-N-(4-cyanophenyl)butanamide
SMILESC=CCCOCCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H18N2O2/c1-2-3-10-19-11-4-5-15(18)17-14-8-6-13(12-16)7-9-14/h2,6-9H,1,3-5,10-11H2,(H,17,18)
InChIKeyJKUZNHRECVRYIL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.87
Rot. Bonds8

About 4-but-3-enoxy-N-(4-cyanophenyl)butanamide

4-but-3-enoxy-N-(4-cyanophenyl)butanamide (PubChem CID 29005997) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-but-3-enoxy-N-(4-cyanophenyl)butanamide.

Molecular Properties

Compound Name4-but-3-enoxy-N-(4-cyanophenyl)butanamide
PubChem CID29005997
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-but-3-enoxy-N-(4-cyanophenyl)butanamide
SMILESC=CCCOCCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H18N2O2/c1-2-3-10-19-11-4-5-15(18)17-14-8-6-13(12-16)7-9-14/h2,6-9H,1,3-5,10-11H2,(H,17,18)
InChIKeyJKUZNHRECVRYIL-UHFFFAOYSA-N
XLogP2.87
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
CID 29001602
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
4-butan-2-yloxy-N-(4-cyanophenyl)butanamide
CID 54943716
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 115942045
N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide
CID 66275671
N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide
CID 162035650
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 82005179
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29001508

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-N-(4-cyanophenyl)butanamide?
The IUPAC name of 4-but-3-enoxy-N-(4-cyanophenyl)butanamide (CID 29005997) is 4-but-3-enoxy-N-(4-cyanophenyl)butanamide.
What is the SMILES notation for 4-but-3-enoxy-N-(4-cyanophenyl)butanamide?
The canonical SMILES for 4-but-3-enoxy-N-(4-cyanophenyl)butanamide is C=CCCOCCCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 4-but-3-enoxy-N-(4-cyanophenyl)butanamide?
The InChIKey is JKUZNHRECVRYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-3-10-19-11-4-5-15(18)17-14-8-6-13(12-16)7-9-14/h2,6-9H,1,3-5,10-11H2,(H,17,18).
What are the key properties of 4-but-3-enoxy-N-(4-cyanophenyl)butanamide?
4-but-3-enoxy-N-(4-cyanophenyl)butanamide has a molecular weight of 258.32 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-N-(4-cyanophenyl)butanamide is sourced from PubChem (CID 29005997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).