N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide

C14H23N3O — CID 54924337

IUPACN-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C14H23N3O/c1-15-10-6-9-14(18)16-13-8-5-4-7-12(13)11-17(2)3/h4-5,7-8,15H,6,9-11H2,1-3H3,(H,16,18)
InChIKeyWONOBQURUJYKOQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.69
Rot. Bonds7

About N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide

N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide (PubChem CID 54924337) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide
PubChem CID54924337
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C14H23N3O/c1-15-10-6-9-14(18)16-13-8-5-4-7-12(13)11-17(2)3/h4-5,7-8,15H,6,9-11H2,1-3H3,(H,16,18)
InChIKeyWONOBQURUJYKOQ-UHFFFAOYSA-N
XLogP1.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide 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

5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide
CID 82848561
N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide
CID 79204978
2-amino-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 43695681
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
2-[2-[3-(methylamino)propanoylamino]phenyl]acetic acid
CID 62536315
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 110470101
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012
N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide
CID 60763631
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide
CID 79199579
4-(methylamino)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119869698

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide (CID 54924337) is N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccccc1CN(C)C.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide?
The InChIKey is WONOBQURUJYKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-15-10-6-9-14(18)16-13-8-5-4-7-12(13)11-17(2)3/h4-5,7-8,15H,6,9-11H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide?
N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide has a molecular weight of 249.36 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 54924337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).