N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide

C16H22N2O3 — CID 115942045

IUPACN-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
SMILESCC(C)(C)OCCOCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-11-10-20-9-8-15(19)18-14-6-4-13(12-17)5-7-14/h4-7H,8-11H2,1-3H3,(H,18,19)
InChIKeyNSJOKFSSWDGARY-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.72
Rot. Bonds7

About N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide

N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide (PubChem CID 115942045) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
PubChem CID115942045
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
SMILESCC(C)(C)OCCOCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-11-10-20-9-8-15(19)18-14-6-4-13(12-17)5-7-14/h4-7H,8-11H2,1-3H3,(H,18,19)
InChIKeyNSJOKFSSWDGARY-UHFFFAOYSA-N
XLogP2.72
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29001508
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
CID 29001602
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide
CID 59408690
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 82005179
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)pentanamide
CID 2162994
4-but-3-enoxy-N-(4-cyanophenyl)butanamide
CID 29005997
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide (CID 115942045) is N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide is CC(C)(C)OCCOCCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide?
The InChIKey is NSJOKFSSWDGARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)21-11-10-20-9-8-15(19)18-14-6-4-13(12-17)5-7-14/h4-7H,8-11H2,1-3H3,(H,18,19).
What are the key properties of N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide?
N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide has a molecular weight of 290.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide is sourced from PubChem (CID 115942045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).