N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide

C18H18N2O2 — CID 4949925

IUPACN-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H18N2O2/c1-3-17(22-16-10-4-13(2)5-11-16)18(21)20-15-8-6-14(12-19)7-9-15/h4-11,17H,3H2,1-2H3,(H,20,21)
InChIKeyOPVQEBSPXISJEY-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.66
Rot. Bonds5

About N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide

N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide (PubChem CID 4949925) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide
PubChem CID4949925
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H18N2O2/c1-3-17(22-16-10-4-13(2)5-11-16)18(21)20-15-8-6-14(12-19)7-9-15/h4-11,17H,3H2,1-2H3,(H,20,21)
InChIKeyOPVQEBSPXISJEY-UHFFFAOYSA-N
XLogP3.66
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 17034416
(2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide
CID 9012640
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066984
N-(6-chloro-3-pyridinyl)-2-(4-methylphenoxy)butanamide
CID 54787918
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
CID 99133137
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
CID 4950024

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide?
The IUPAC name of N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide (CID 4949925) is N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide?
The InChIKey is OPVQEBSPXISJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-17(22-16-10-4-13(2)5-11-16)18(21)20-15-8-6-14(12-19)7-9-15/h4-11,17H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide?
N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide has a molecular weight of 294.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 4949925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).