N-[[4-(aminomethyl)phenyl]methyl]heptanamide

C15H24N2O — CID 114751908

IUPACN-[[4-(aminomethyl)phenyl]methyl]heptanamide
SMILESCCCCCCC(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C15H24N2O/c1-2-3-4-5-6-15(18)17-12-14-9-7-13(11-16)8-10-14/h7-10H,2-6,11-12,16H2,1H3,(H,17,18)
InChIKeyXRQQBDIOSAYVBJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.73
Rot. Bonds8

About N-[[4-(aminomethyl)phenyl]methyl]heptanamide

N-[[4-(aminomethyl)phenyl]methyl]heptanamide (PubChem CID 114751908) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]heptanamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]heptanamide
PubChem CID114751908
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]heptanamide
SMILESCCCCCCC(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C15H24N2O/c1-2-3-4-5-6-15(18)17-12-14-9-7-13(11-16)8-10-14/h7-10H,2-6,11-12,16H2,1H3,(H,17,18)
InChIKeyXRQQBDIOSAYVBJ-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-(aminomethyl)phenyl]methyl]heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492
N-benzylundecanamide
CID 5078198
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
sodium 4-[(decanoylamino)methyl]benzoate
CID 23676819

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]heptanamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]heptanamide (CID 114751908) is N-[[4-(aminomethyl)phenyl]methyl]heptanamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]heptanamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]heptanamide is CCCCCCC(=O)NCc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]heptanamide?
The InChIKey is XRQQBDIOSAYVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-4-5-6-15(18)17-12-14-9-7-13(11-16)8-10-14/h7-10H,2-6,11-12,16H2,1H3,(H,17,18).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]heptanamide?
N-[[4-(aminomethyl)phenyl]methyl]heptanamide has a molecular weight of 248.37 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]heptanamide is sourced from PubChem (CID 114751908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).