N-[(4-methylphenyl)methyl]hexadecanamide

C24H41NO — CID 11111158

IUPACN-[(4-methylphenyl)methyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C24H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)25-21-23-19-17-22(2)18-20-23/h17-20H,3-16,21H2,1-2H3,(H,25,26)
InChIKeyQFTRYIXEFSLRLU-UHFFFAOYSA-N
MW359.60 g/mol
LogP7.09
Rot. Bonds16

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

N-[(4-methylphenyl)methyl]hexadecanamide (PubChem CID 11111158) has the molecular formula C24H41NO and a molecular weight of 359.60 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]hexadecanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]hexadecanamide
PubChem CID11111158
Molecular FormulaC24H41NO
Molecular Weight359.60 g/mol
Exact Mass359.32
IUPAC NameN-[(4-methylphenyl)methyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C24H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)25-21-23-19-17-22(2)18-20-23/h17-20H,3-16,21H2,1-2H3,(H,25,26)
InChIKeyQFTRYIXEFSLRLU-UHFFFAOYSA-N
XLogP7.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 57.09
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]heptanamide
CID 4159981
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]hexadecanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]hexadecanamide (CID 11111158) is N-[(4-methylphenyl)methyl]hexadecanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]hexadecanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCc1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]hexadecanamide?
The InChIKey is QFTRYIXEFSLRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)25-21-23-19-17-22(2)18-20-23/h17-20H,3-16,21H2,1-2H3,(H,25,26).
What are the key properties of N-[(4-methylphenyl)methyl]hexadecanamide?
N-[(4-methylphenyl)methyl]hexadecanamide has a molecular weight of 359.60 g/mol, XLogP of 7.09, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]hexadecanamide is sourced from PubChem (CID 11111158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).