N-pentyl-4-propylbenzamide

C15H23NO — CID 70894308

IUPACN-pentyl-4-propylbenzamide
SMILESCCCCCNC(=O)c1ccc(CCC)cc1
InChIInChI=1S/C15H23NO/c1-3-5-6-12-16-15(17)14-10-8-13(7-4-2)9-11-14/h8-11H,3-7,12H2,1-2H3,(H,16,17)
InChIKeyJPGLEBCRTWZLMX-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.56
Rot. Bonds7

About N-pentyl-4-propylbenzamide

N-pentyl-4-propylbenzamide (PubChem CID 70894308) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-pentyl-4-propylbenzamide.

Molecular Properties

Compound NameN-pentyl-4-propylbenzamide
PubChem CID70894308
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-pentyl-4-propylbenzamide
SMILESCCCCCNC(=O)c1ccc(CCC)cc1
InChIInChI=1S/C15H23NO/c1-3-5-6-12-16-15(17)14-10-8-13(7-4-2)9-11-14/h8-11H,3-7,12H2,1-2H3,(H,16,17)
InChIKeyJPGLEBCRTWZLMX-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4-propylbenzamide
CID 70894310
N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
CID 119433201
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
N-decyl-4-sulfanylbenzamide
CID 107032455
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783
4-(hydroperoxymethyl)-N-octadecylbenzamide
CID 54494073
4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide
CID 54400286
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
4-(cyanomethyl)-N-pentylbenzamide
CID 82178782
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-propylbenzamide?
The IUPAC name of N-pentyl-4-propylbenzamide (CID 70894308) is N-pentyl-4-propylbenzamide.
What is the SMILES notation for N-pentyl-4-propylbenzamide?
The canonical SMILES for N-pentyl-4-propylbenzamide is CCCCCNC(=O)c1ccc(CCC)cc1.
What is the InChIKey of N-pentyl-4-propylbenzamide?
The InChIKey is JPGLEBCRTWZLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-5-6-12-16-15(17)14-10-8-13(7-4-2)9-11-14/h8-11H,3-7,12H2,1-2H3,(H,16,17).
What are the key properties of N-pentyl-4-propylbenzamide?
N-pentyl-4-propylbenzamide has a molecular weight of 233.35 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-propylbenzamide is sourced from PubChem (CID 70894308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).