3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide

C12H17N3O2 — CID 54937953

IUPAC3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
SMILESCN(C)C(=O)CCNC(=O)c1cccc(N)c1
InChIInChI=1S/C12H17N3O2/c1-15(2)11(16)6-7-14-12(17)9-4-3-5-10(13)8-9/h3-5,8H,6-7,13H2,1-2H3,(H,14,17)
InChIKeyILDPVPVCUFDIRI-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.48
Rot. Bonds4

About 3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide

3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide (PubChem CID 54937953) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
PubChem CID54937953
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
SMILESCN(C)C(=O)CCNC(=O)c1cccc(N)c1
InChIInChI=1S/C12H17N3O2/c1-15(2)11(16)6-7-14-12(17)9-4-3-5-10(13)8-9/h3-5,8H,6-7,13H2,1-2H3,(H,14,17)
InChIKeyILDPVPVCUFDIRI-UHFFFAOYSA-N
XLogP0.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-[3-(dimethylamino)-3-oxopropyl]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-[4-(dimethylamino)-4-oxobutyl]benzamide
CID 119748277
4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119731255
N-[3-(dimethylamino)-3-oxopropyl]-3-nitrobenzamide
CID 134025655
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425
N-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydroxybenzamide
CID 103955611
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-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119871098
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide
CID 110474429
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide (CID 54937953) is 3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide is CN(C)C(=O)CCNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide?
The InChIKey is ILDPVPVCUFDIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(2)11(16)6-7-14-12(17)9-4-3-5-10(13)8-9/h3-5,8H,6-7,13H2,1-2H3,(H,14,17).
What are the key properties of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide?
3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 54937953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).