N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide

C24H40N2O2 — CID 3350050

IUPACN-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
SMILESCCCCCCCC(=O)NCc1ccc(CNC(=O)CCCCCCC)cc1
InChIInChI=1S/C24H40N2O2/c1-3-5-7-9-11-13-23(27)25-19-21-15-17-22(18-16-21)20-26-24(28)14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyFZCRTRRJTQZBCK-UHFFFAOYSA-N
MW388.60 g/mol
LogP5.64
Rot. Bonds16

About N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide

N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide (PubChem CID 3350050) has the molecular formula C24H40N2O2 and a molecular weight of 388.60 g/mol. Its IUPAC name is N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide.

Molecular Properties

Compound NameN-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
PubChem CID3350050
Molecular FormulaC24H40N2O2
Molecular Weight388.60 g/mol
Exact Mass388.31
IUPAC NameN-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
SMILESCCCCCCCC(=O)NCc1ccc(CNC(=O)CCCCCCC)cc1
InChIInChI=1S/C24H40N2O2/c1-3-5-7-9-11-13-23(27)25-19-21-15-17-22(18-16-21)20-26-24(28)14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyFZCRTRRJTQZBCK-UHFFFAOYSA-N
XLogP5.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylphenyl)methyl]hexadecanamide
CID 11111158
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-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
sodium 4-[(decanoylamino)methyl]benzoate
CID 23676819
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
CID 54792167

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide?
The IUPAC name of N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide (CID 3350050) is N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide.
What is the SMILES notation for N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide?
The canonical SMILES for N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide is CCCCCCCC(=O)NCc1ccc(CNC(=O)CCCCCCC)cc1.
What is the InChIKey of N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide?
The InChIKey is FZCRTRRJTQZBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O2/c1-3-5-7-9-11-13-23(27)25-19-21-15-17-22(18-16-21)20-26-24(28)14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide?
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide has a molecular weight of 388.60 g/mol, XLogP of 5.64, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide is sourced from PubChem (CID 3350050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).