N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide

C15H18N2O2 — CID 63939812

IUPACN-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
SMILESN#Cc1ccc(NC(=O)CCC2CCCCO2)cc1
InChIInChI=1S/C15H18N2O2/c16-11-12-4-6-13(7-5-12)17-15(18)9-8-14-3-1-2-10-19-14/h4-7,14H,1-3,8-10H2,(H,17,18)
InChIKeyJHDYOMFJBWBHHC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.85
Rot. Bonds4

About N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide

N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide (PubChem CID 63939812) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
PubChem CID63939812
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
SMILESN#Cc1ccc(NC(=O)CCC2CCCCO2)cc1
InChIInChI=1S/C15H18N2O2/c16-11-12-4-6-13(7-5-12)17-15(18)9-8-14-3-1-2-10-19-14/h4-7,14H,1-3,8-10H2,(H,17,18)
InChIKeyJHDYOMFJBWBHHC-UHFFFAOYSA-N
XLogP2.85
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 104848977
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
3-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581050
N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 104880332
N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 114299310
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63953371
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653
2-bromo-5-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 115295879
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
CID 55605765
N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 63936119

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide (CID 63939812) is N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide is N#Cc1ccc(NC(=O)CCC2CCCCO2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide?
The InChIKey is JHDYOMFJBWBHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-11-12-4-6-13(7-5-12)17-15(18)9-8-14-3-1-2-10-19-14/h4-7,14H,1-3,8-10H2,(H,17,18).
What are the key properties of N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide?
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.85, 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-(oxan-2-yl)propanamide is sourced from PubChem (CID 63939812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).