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

C14H18N2O2 — CID 29001508

IUPACN-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)18-9-8-13(17)16-12-6-4-11(10-15)5-7-12/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyQZXSKWLGKJSTLO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.70
Rot. Bonds4

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

N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 29001508) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID29001508
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(C)(C)OCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)18-9-8-13(17)16-12-6-4-11(10-15)5-7-12/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyQZXSKWLGKJSTLO-UHFFFAOYSA-N
XLogP2.70
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 115942045
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
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
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 82005179
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
CID 29001602
tert-butyl 2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylacetate
CID 115645322
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917
N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide
CID 66275671

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 29001508) is N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)OCCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is QZXSKWLGKJSTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,3)18-9-8-13(17)16-12-6-4-11(10-15)5-7-12/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide?
N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 246.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 29001508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).