N-hexyl-4-propylbenzamide

C16H25NO — CID 70894310

IUPACN-hexyl-4-propylbenzamide
SMILESCCCCCCNC(=O)c1ccc(CCC)cc1
InChIInChI=1S/C16H25NO/c1-3-5-6-7-13-17-16(18)15-11-9-14(8-4-2)10-12-15/h9-12H,3-8,13H2,1-2H3,(H,17,18)
InChIKeyOFOWTOZDCOFZRE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.95
Rot. Bonds8

About N-hexyl-4-propylbenzamide

N-hexyl-4-propylbenzamide (PubChem CID 70894310) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-hexyl-4-propylbenzamide.

Molecular Properties

Compound NameN-hexyl-4-propylbenzamide
PubChem CID70894310
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-hexyl-4-propylbenzamide
SMILESCCCCCCNC(=O)c1ccc(CCC)cc1
InChIInChI=1S/C16H25NO/c1-3-5-6-7-13-17-16(18)15-11-9-14(8-4-2)10-12-15/h9-12H,3-8,13H2,1-2H3,(H,17,18)
InChIKeyOFOWTOZDCOFZRE-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.95
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-pentyl-4-propylbenzamide
CID 70894308
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
N-decyl-4-sulfanylbenzamide
CID 107032455
N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
CID 119433201
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
4-(hydroperoxymethyl)-N-octadecylbenzamide
CID 54494073
4-tert-butyl-N-nonylbenzamide
CID 4642451
4-bromo-N-hexadecylbenzamide
CID 54791037
N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639539
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-propylbenzamide?
The IUPAC name of N-hexyl-4-propylbenzamide (CID 70894310) is N-hexyl-4-propylbenzamide.
What is the SMILES notation for N-hexyl-4-propylbenzamide?
The canonical SMILES for N-hexyl-4-propylbenzamide is CCCCCCNC(=O)c1ccc(CCC)cc1.
What is the InChIKey of N-hexyl-4-propylbenzamide?
The InChIKey is OFOWTOZDCOFZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-5-6-7-13-17-16(18)15-11-9-14(8-4-2)10-12-15/h9-12H,3-8,13H2,1-2H3,(H,17,18).
What are the key properties of N-hexyl-4-propylbenzamide?
N-hexyl-4-propylbenzamide has a molecular weight of 247.38 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-propylbenzamide is sourced from PubChem (CID 70894310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).