4-(cyanomethyl)-N-pentylbenzamide

C14H18N2O — CID 82178782

IUPAC4-(cyanomethyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C14H18N2O/c1-2-3-4-11-16-14(17)13-7-5-12(6-8-13)9-10-15/h5-8H,2-4,9,11H2,1H3,(H,16,17)
InChIKeyTWAFASLWYHPLPM-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.67
Rot. Bonds6

About 4-(cyanomethyl)-N-pentylbenzamide

4-(cyanomethyl)-N-pentylbenzamide (PubChem CID 82178782) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-pentylbenzamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-pentylbenzamide
PubChem CID82178782
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(cyanomethyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C14H18N2O/c1-2-3-4-11-16-14(17)13-7-5-12(6-8-13)9-10-15/h5-8H,2-4,9,11H2,1H3,(H,16,17)
InChIKeyTWAFASLWYHPLPM-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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-(cyanomethyl)-N-ethylbenzamide
CID 82178780
N-pentyl-4-propylbenzamide
CID 70894308
4-cyano-N-decylbenzamide
CID 14179073
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
4-(hydroperoxymethyl)-N-octadecylbenzamide
CID 54494073
4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide
CID 54400286
4-bromo-N-pentylbenzamide
CID 4167913
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
4-tert-butyl-N-nonylbenzamide
CID 4642451

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-pentylbenzamide?
The IUPAC name of 4-(cyanomethyl)-N-pentylbenzamide (CID 82178782) is 4-(cyanomethyl)-N-pentylbenzamide.
What is the SMILES notation for 4-(cyanomethyl)-N-pentylbenzamide?
The canonical SMILES for 4-(cyanomethyl)-N-pentylbenzamide is CCCCCNC(=O)c1ccc(CC#N)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-pentylbenzamide?
The InChIKey is TWAFASLWYHPLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-3-4-11-16-14(17)13-7-5-12(6-8-13)9-10-15/h5-8H,2-4,9,11H2,1H3,(H,16,17).
What are the key properties of 4-(cyanomethyl)-N-pentylbenzamide?
4-(cyanomethyl)-N-pentylbenzamide has a molecular weight of 230.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-pentylbenzamide is sourced from PubChem (CID 82178782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).