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

C14H18N2O — CID 55102075

IUPACN-(3-cyanopropyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCC#N)cc1
InChIInChI=1S/C14H18N2O/c1-12-4-6-13(7-5-12)8-9-14(17)16-11-3-2-10-15/h4-7H,2-3,8-9,11H2,1H3,(H,16,17)
InChIKeyAQHHQMIBWQEEFY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.35
Rot. Bonds6

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

N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide (PubChem CID 55102075) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)-3-(4-methylphenyl)propanamide
PubChem CID55102075
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(3-cyanopropyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCC#N)cc1
InChIInChI=1S/C14H18N2O/c1-12-4-6-13(7-5-12)8-9-14(17)16-11-3-2-10-15/h4-7H,2-3,8-9,11H2,1H3,(H,16,17)
InChIKeyAQHHQMIBWQEEFY-UHFFFAOYSA-N
XLogP2.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.35
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-(4-cyanobutyl)-3-(4-methylphenyl)propanamide
CID 63284353
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-(6-iodohexyl)-3-(4-methylphenyl)propanamide
CID 107848485
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
3-cyano-N-[2-(4-ethylphenyl)ethyl]propanamide
CID 94685245
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide (CID 55102075) is N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCCC#N)cc1.
What is the InChIKey of N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide?
The InChIKey is AQHHQMIBWQEEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-12-4-6-13(7-5-12)8-9-14(17)16-11-3-2-10-15/h4-7H,2-3,8-9,11H2,1H3,(H,16,17).
What are the key properties of N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide?
N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide has a molecular weight of 230.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 55102075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).