N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide

C16H22N2O2 — CID 29001602

IUPACN-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
SMILESCC(C)CCCOCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H22N2O2/c1-13(2)4-3-10-20-11-9-16(19)18-15-7-5-14(12-17)6-8-15/h5-8,13H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyDIPMFEUYCWSDQL-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.34
Rot. Bonds8

About N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide

N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide (PubChem CID 29001602) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
PubChem CID29001602
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
SMILESCC(C)CCCOCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H22N2O2/c1-13(2)4-3-10-20-11-9-16(19)18-15-7-5-14(12-17)6-8-15/h5-8,13H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyDIPMFEUYCWSDQL-UHFFFAOYSA-N
XLogP3.34
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.34
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)-3-(2-propoxyethoxy)propanamide
CID 63685828
N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 115942045
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 82005179
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
4-but-3-enoxy-N-(4-cyanophenyl)butanamide
CID 29005997
4-butan-2-yloxy-N-(4-cyanophenyl)butanamide
CID 54943716
N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43272096
N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29001508
N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide
CID 28995439
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide
CID 66275671
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide (CID 29001602) is N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide is CC(C)CCCOCCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide?
The InChIKey is DIPMFEUYCWSDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(2)4-3-10-20-11-9-16(19)18-15-7-5-14(12-17)6-8-15/h5-8,13H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide?
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide has a molecular weight of 274.36 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide is sourced from PubChem (CID 29001602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).