N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide

C14H15F3N2O2 — CID 66275671

IUPACN-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide
SMILESCC(OCCCC(=O)Nc1ccc(C#N)cc1)C(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c1-10(14(15,16)17)21-8-2-3-13(20)19-12-6-4-11(9-18)5-7-12/h4-7,10H,2-3,8H2,1H3,(H,19,20)
InChIKeyVSFPPQBFXSKNHK-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.24
Rot. Bonds6

About N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide

N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide (PubChem CID 66275671) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide
PubChem CID66275671
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide
SMILESCC(OCCCC(=O)Nc1ccc(C#N)cc1)C(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c1-10(14(15,16)17)21-8-2-3-13(20)19-12-6-4-11(9-18)5-7-12/h4-7,10H,2-3,8H2,1H3,(H,19,20)
InChIKeyVSFPPQBFXSKNHK-UHFFFAOYSA-N
XLogP3.24
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.24
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

4-butan-2-yloxy-N-(4-cyanophenyl)butanamide
CID 54943716
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)pentanamide
CID 2162994
N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66277586
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
CID 29001602
N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29001508
4-but-3-enoxy-N-(4-cyanophenyl)butanamide
CID 29005997
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 82005179
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43272096
N-(4-cyanophenyl)-2-pentoxypropanamide
CID 43275133
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide?
The IUPAC name of N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide (CID 66275671) is N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide is CC(OCCCC(=O)Nc1ccc(C#N)cc1)C(F)(F)F.
What is the InChIKey of N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide?
The InChIKey is VSFPPQBFXSKNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-10(14(15,16)17)21-8-2-3-13(20)19-12-6-4-11(9-18)5-7-12/h4-7,10H,2-3,8H2,1H3,(H,19,20).
What are the key properties of N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide?
N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide has a molecular weight of 300.28 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide is sourced from PubChem (CID 66275671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).