N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide

C16H27N3O2 — CID 107198478

IUPACN-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1CN)N(C)CCCCCO
InChIInChI=1S/C16H27N3O2/c1-13(19(2)10-6-3-7-11-20)16(21)18-15-9-5-4-8-14(15)12-17/h4-5,8-9,13,20H,3,6-7,10-12,17H2,1-2H3,(H,18,21)
InChIKeyCPUMAPUBYOJRND-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.57
Rot. Bonds9

About N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide

N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide (PubChem CID 107198478) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide
PubChem CID107198478
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1CN)N(C)CCCCCO
InChIInChI=1S/C16H27N3O2/c1-13(19(2)10-6-3-7-11-20)16(21)18-15-9-5-4-8-14(15)12-17/h4-5,8-9,13,20H,3,6-7,10-12,17H2,1-2H3,(H,18,21)
InChIKeyCPUMAPUBYOJRND-UHFFFAOYSA-N
XLogP1.57
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide 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-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950
N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884442
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]propanamide
CID 43570705
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide
CID 43571770
N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
CID 82941643
2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide
CID 110880711
N-(2-ethylphenyl)-2-[methyl(2-methylsulfinylethyl)amino]propanamide
CID 3039539
N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 79380266
N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 64697646
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide
CID 43570704
2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 71908103
N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide
CID 43294538

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide (CID 107198478) is N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide is CC(C(=O)Nc1ccccc1CN)N(C)CCCCCO.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide?
The InChIKey is CPUMAPUBYOJRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(19(2)10-6-3-7-11-20)16(21)18-15-9-5-4-8-14(15)12-17/h4-5,8-9,13,20H,3,6-7,10-12,17H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide?
N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.57, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide is sourced from PubChem (CID 107198478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).