N-(3-methylphenyl)hexanamide

C13H19NO — CID 532110

IUPACN-(3-methylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-3-4-5-9-13(15)14-12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3,(H,14,15)
InChIKeyORZBFCDGVYYOQD-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.51
Rot. Bonds5

About N-(3-methylphenyl)hexanamide

N-(3-methylphenyl)hexanamide (PubChem CID 532110) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(3-methylphenyl)hexanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)hexanamide
PubChem CID532110
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(3-methylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-3-4-5-9-13(15)14-12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3,(H,14,15)
InChIKeyORZBFCDGVYYOQD-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)hexanamide?
The IUPAC name of N-(3-methylphenyl)hexanamide (CID 532110) is N-(3-methylphenyl)hexanamide.
What is the SMILES notation for N-(3-methylphenyl)hexanamide?
The canonical SMILES for N-(3-methylphenyl)hexanamide is CCCCCC(=O)Nc1cccc(C)c1.
What is the InChIKey of N-(3-methylphenyl)hexanamide?
The InChIKey is ORZBFCDGVYYOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-4-5-9-13(15)14-12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3,(H,14,15).
What are the key properties of N-(3-methylphenyl)hexanamide?
N-(3-methylphenyl)hexanamide has a molecular weight of 205.30 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)hexanamide is sourced from PubChem (CID 532110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).