4-butan-2-yloxy-N-(4-cyanophenyl)butanamide

C15H20N2O2 — CID 54943716

IUPAC4-butan-2-yloxy-N-(4-cyanophenyl)butanamide
SMILESCCC(C)OCCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-3-12(2)19-10-4-5-15(18)17-14-8-6-13(11-16)7-9-14/h6-9,12H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyBJYYQKJTENKKIR-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.09
Rot. Bonds7

About 4-butan-2-yloxy-N-(4-cyanophenyl)butanamide

4-butan-2-yloxy-N-(4-cyanophenyl)butanamide (PubChem CID 54943716) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-(4-cyanophenyl)butanamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-(4-cyanophenyl)butanamide
PubChem CID54943716
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-butan-2-yloxy-N-(4-cyanophenyl)butanamide
SMILESCCC(C)OCCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-3-12(2)19-10-4-5-15(18)17-14-8-6-13(11-16)7-9-14/h6-9,12H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyBJYYQKJTENKKIR-UHFFFAOYSA-N
XLogP3.09
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide
CID 66275671
N-(4-cyanophenyl)pentanamide
CID 2162994
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
CID 29001602
N-(4-cyanophenyl)-2-pentoxypropanamide
CID 43275133
N-(3-aminophenyl)-4-butan-2-yloxybutanamide
CID 54943755
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
4-but-3-enoxy-N-(4-cyanophenyl)butanamide
CID 29005997
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43272096
N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61448568
N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29001508

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-(4-cyanophenyl)butanamide?
The IUPAC name of 4-butan-2-yloxy-N-(4-cyanophenyl)butanamide (CID 54943716) is 4-butan-2-yloxy-N-(4-cyanophenyl)butanamide.
What is the SMILES notation for 4-butan-2-yloxy-N-(4-cyanophenyl)butanamide?
The canonical SMILES for 4-butan-2-yloxy-N-(4-cyanophenyl)butanamide is CCC(C)OCCCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-(4-cyanophenyl)butanamide?
The InChIKey is BJYYQKJTENKKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-12(2)19-10-4-5-15(18)17-14-8-6-13(11-16)7-9-14/h6-9,12H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of 4-butan-2-yloxy-N-(4-cyanophenyl)butanamide?
4-butan-2-yloxy-N-(4-cyanophenyl)butanamide has a molecular weight of 260.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-(4-cyanophenyl)butanamide is sourced from PubChem (CID 54943716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).