N-(3-cyanophenyl)octanamide

C15H20N2O — CID 4958584

IUPACN-(3-cyanophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-6-10-15(18)17-14-9-7-8-13(11-14)12-16/h7-9,11H,2-6,10H2,1H3,(H,17,18)
InChIKeyVJPRGYUFBLIPEE-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.86
Rot. Bonds7

About N-(3-cyanophenyl)octanamide

N-(3-cyanophenyl)octanamide (PubChem CID 4958584) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)octanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)octanamide
PubChem CID4958584
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(3-cyanophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H20N2O/c1-2-3-4-5-6-10-15(18)17-14-9-7-8-13(11-14)12-16/h7-9,11H,2-6,10H2,1H3,(H,17,18)
InChIKeyVJPRGYUFBLIPEE-UHFFFAOYSA-N
XLogP3.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.86
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-butylsulfanyl-N-(3-cyanophenyl)butanamide
CID 43615804
N-[(3-cyanophenyl)carbamothioyl]hexanamide
CID 4954024
N-(3-cyanophenyl)-4-propylsulfinylbutanamide
CID 64690477
N-(3-cyanophenyl)-2-hexoxyacetamide
CID 29001724
3-butylsulfinyl-N-(3-cyanophenyl)propanamide
CID 64692135
N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide
CID 65426940
N-(3-cyanophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982247
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-(3-iodophenyl)octanamide
CID 55026619
N-(3-sulfanylphenyl)heptanamide
CID 173451208
N-(3-bromophenyl)heptanamide
CID 4596383
N-(3-ethylphenyl)decanamide
CID 4053743

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)octanamide?
The IUPAC name of N-(3-cyanophenyl)octanamide (CID 4958584) is N-(3-cyanophenyl)octanamide.
What is the SMILES notation for N-(3-cyanophenyl)octanamide?
The canonical SMILES for N-(3-cyanophenyl)octanamide is CCCCCCCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)octanamide?
The InChIKey is VJPRGYUFBLIPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-4-5-6-10-15(18)17-14-9-7-8-13(11-14)12-16/h7-9,11H,2-6,10H2,1H3,(H,17,18).
What are the key properties of N-(3-cyanophenyl)octanamide?
N-(3-cyanophenyl)octanamide has a molecular weight of 244.34 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)octanamide is sourced from PubChem (CID 4958584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).