3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide

C13H19N3O2 — CID 119748277

IUPAC3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide
SMILESCN(C)C(=O)CCCNC(=O)c1cccc(N)c1
InChIInChI=1S/C13H19N3O2/c1-16(2)12(17)7-4-8-15-13(18)10-5-3-6-11(14)9-10/h3,5-6,9H,4,7-8,14H2,1-2H3,(H,15,18)
InChIKeyBTPMZMHTUVOSGG-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.87
Rot. Bonds5

About 3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide

3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide (PubChem CID 119748277) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide
PubChem CID119748277
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide
SMILESCN(C)C(=O)CCCNC(=O)c1cccc(N)c1
InChIInChI=1S/C13H19N3O2/c1-16(2)12(17)7-4-8-15-13(18)10-5-3-6-11(14)9-10/h3,5-6,9H,4,7-8,14H2,1-2H3,(H,15,18)
InChIKeyBTPMZMHTUVOSGG-UHFFFAOYSA-N
XLogP0.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide 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

3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 54937953
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 119728935
3-amino-N-[3-[benzyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119835670
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
3-amino-N-[3-(ethylsulfonylamino)propyl]benzamide
CID 119763137
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
3-amino-N-(5,5,5-trifluoropentyl)benzamide
CID 113326624
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide
CID 103814251
3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
CID 119763189
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide?
The IUPAC name of 3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide (CID 119748277) is 3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for 3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide?
The canonical SMILES for 3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide is CN(C)C(=O)CCCNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide?
The InChIKey is BTPMZMHTUVOSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(2)12(17)7-4-8-15-13(18)10-5-3-6-11(14)9-10/h3,5-6,9H,4,7-8,14H2,1-2H3,(H,15,18).
What are the key properties of 3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide?
3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 119748277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).