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

C14H23N3O — CID 61248604

IUPACN-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-15-10-4-5-14(18)16-11-12-6-8-13(9-7-12)17(2)3/h6-9,15H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyUJAPRYPBQWUKJI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.37
Rot. Bonds7

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

N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide (PubChem CID 61248604) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide
PubChem CID61248604
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-15-10-4-5-14(18)16-11-12-6-8-13(9-7-12)17(2)3/h6-9,15H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyUJAPRYPBQWUKJI-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)phenyl]methyl]-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

N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818
N-[[4-(N-ethylanilino)phenyl]methyl]-4-(methylamino)butanamide
CID 119805510
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
4-[[4-(dimethylamino)phenyl]methylamino]-4-oxobutanoic acid
CID 54867572
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
N,N-diethyl-4-[[4-(methylamino)butanoylamino]methyl]benzamide;hydrochloride
CID 119712810
4-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
CID 9304132
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)butanamide
CID 54966098
4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836186
4-(methylamino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119835753
N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide
CID 11562024
N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 46469275

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide (CID 61248604) is N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide is CNCCCC(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide?
The InChIKey is UJAPRYPBQWUKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-15-10-4-5-14(18)16-11-12-6-8-13(9-7-12)17(2)3/h6-9,15H,4-5,10-11H2,1-3H3,(H,16,18).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide?
N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide has a molecular weight of 249.36 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 61248604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).