N-[(4-methylphenyl)methyl]heptanamide

C15H23NO — CID 4159981

IUPACN-[(4-methylphenyl)methyl]heptanamide
SMILESCCCCCCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-3-4-5-6-7-15(17)16-12-14-10-8-13(2)9-11-14/h8-11H,3-7,12H2,1-2H3,(H,16,17)
InChIKeyHLSPCMINYWEJFL-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.58
Rot. Bonds7

About N-[(4-methylphenyl)methyl]heptanamide

N-[(4-methylphenyl)methyl]heptanamide (PubChem CID 4159981) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]heptanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]heptanamide
PubChem CID4159981
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(4-methylphenyl)methyl]heptanamide
SMILESCCCCCCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-3-4-5-6-7-15(17)16-12-14-10-8-13(2)9-11-14/h8-11H,3-7,12H2,1-2H3,(H,16,17)
InChIKeyHLSPCMINYWEJFL-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
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-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492
N-benzylundecanamide
CID 5078198
N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
CID 109019794
6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
CID 112763501
N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
sodium 4-[(decanoylamino)methyl]benzoate
CID 23676819

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]heptanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]heptanamide (CID 4159981) is N-[(4-methylphenyl)methyl]heptanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]heptanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]heptanamide is CCCCCCC(=O)NCc1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]heptanamide?
The InChIKey is HLSPCMINYWEJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-5-6-7-15(17)16-12-14-10-8-13(2)9-11-14/h8-11H,3-7,12H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-methylphenyl)methyl]heptanamide?
N-[(4-methylphenyl)methyl]heptanamide has a molecular weight of 233.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]heptanamide is sourced from PubChem (CID 4159981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).