N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride

C13H20ClN3O2 — CID 119719084

IUPACN,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
SMILESCNCC(=O)Nc1cc(C(=O)N(C)C)ccc1C.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9-5-6-10(13(18)16(3)4)7-11(9)15-12(17)8-14-2;/h5-7,14H,8H2,1-4H3,(H,15,17);1H
InChIKeyPAFSUABYUMABJD-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.28
Rot. Bonds4

About N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride

N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride (PubChem CID 119719084) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
PubChem CID119719084
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC NameN,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
SMILESCNCC(=O)Nc1cc(C(=O)N(C)C)ccc1C.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-9-5-6-10(13(18)16(3)4)7-11(9)15-12(17)8-14-2;/h5-7,14H,8H2,1-4H3,(H,15,17);1H
InChIKeyPAFSUABYUMABJD-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride 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,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
3-(3-chloropropanoylamino)-N,N,4-trimethylbenzamide
CID 43698528
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
3-[3-(2-aminophenyl)propanoylamino]-N,N,4-trimethylbenzamide;hydrochloride
CID 120608927
N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119719098
3-[[(2S)-2-aminobutanoyl]amino]-N,N,4-trimethylbenzamide
CID 79024817
3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide
CID 80543366
N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide
CID 47041438
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-N,N,4-trimethylbenzamide
CID 61179468
4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110618310
4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30258311

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride?
The IUPAC name of N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride (CID 119719084) is N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride.
What is the SMILES notation for N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride?
The canonical SMILES for N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride is CNCC(=O)Nc1cc(C(=O)N(C)C)ccc1C.Cl.
What is the InChIKey of N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride?
The InChIKey is PAFSUABYUMABJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-9-5-6-10(13(18)16(3)4)7-11(9)15-12(17)8-14-2;/h5-7,14H,8H2,1-4H3,(H,15,17);1H.
What are the key properties of N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride?
N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 119719084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).