N-[1-(4-cyanophenyl)ethyl]octanamide

C17H24N2O — CID 134035112

IUPACN-[1-(4-cyanophenyl)ethyl]octanamide
SMILESCCCCCCCC(=O)NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-7-8-17(20)19-14(2)16-11-9-15(13-18)10-12-16/h9-12,14H,3-8H2,1-2H3,(H,19,20)
InChIKeyMPSHDESZNLRBCC-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.10
Rot. Bonds8

About N-[1-(4-cyanophenyl)ethyl]octanamide

N-[1-(4-cyanophenyl)ethyl]octanamide (PubChem CID 134035112) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]octanamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]octanamide
PubChem CID134035112
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[1-(4-cyanophenyl)ethyl]octanamide
SMILESCCCCCCCC(=O)NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-7-8-17(20)19-14(2)16-11-9-15(13-18)10-12-16/h9-12,14H,3-8H2,1-2H3,(H,19,20)
InChIKeyMPSHDESZNLRBCC-UHFFFAOYSA-N
XLogP4.10
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 63307623
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-hexylurea
CID 38290514
3-chloro-N-[1-(4-cyanophenyl)ethyl]propanamide
CID 43698287
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
2-bromo-N-[1-(4-cyanophenyl)ethyl]acetamide
CID 63680255
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
CID 55893382
4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 134035078
N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide
CID 47161785
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide
CID 71588891

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]octanamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]octanamide (CID 134035112) is N-[1-(4-cyanophenyl)ethyl]octanamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]octanamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]octanamide is CCCCCCCC(=O)NC(C)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]octanamide?
The InChIKey is MPSHDESZNLRBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-5-6-7-8-17(20)19-14(2)16-11-9-15(13-18)10-12-16/h9-12,14H,3-8H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]octanamide?
N-[1-(4-cyanophenyl)ethyl]octanamide has a molecular weight of 272.39 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]octanamide is sourced from PubChem (CID 134035112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).