N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide

C15H20N2O — CID 63284353

IUPACN-(4-cyanobutyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCCC#N)cc1
InChIInChI=1S/C15H20N2O/c1-13-5-7-14(8-6-13)9-10-15(18)17-12-4-2-3-11-16/h5-8H,2-4,9-10,12H2,1H3,(H,17,18)
InChIKeyUYOYRDQUCHYRCH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.74
Rot. Bonds7

About N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide

N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide (PubChem CID 63284353) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-cyanobutyl)-3-(4-methylphenyl)propanamide
PubChem CID63284353
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(4-cyanobutyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCCC#N)cc1
InChIInChI=1S/C15H20N2O/c1-13-5-7-14(8-6-13)9-10-15(18)17-12-4-2-3-11-16/h5-8H,2-4,9-10,12H2,1H3,(H,17,18)
InChIKeyUYOYRDQUCHYRCH-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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

N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide
CID 55102075
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
N-(6-iodohexyl)-3-(4-methylphenyl)propanamide
CID 107848485
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide
CID 55070556
N-(3-azidopropyl)-3-(4-methylphenyl)propanamide
CID 62503312
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246
3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide
CID 94685245

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide (CID 63284353) is N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCCCC#N)cc1.
What is the InChIKey of N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide?
The InChIKey is UYOYRDQUCHYRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-13-5-7-14(8-6-13)9-10-15(18)17-12-4-2-3-11-16/h5-8H,2-4,9-10,12H2,1H3,(H,17,18).
What are the key properties of N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide?
N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide has a molecular weight of 244.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 63284353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).