3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride

C12H18ClN3O2 — CID 119287433

IUPAC3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride
SMILESCC(C)(N)C(=O)NCc1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-12(2,14)11(17)15-7-8-4-3-5-9(6-8)10(13)16;/h3-6H,7,14H2,1-2H3,(H2,13,16)(H,15,17);1H
InChIKeyGUFPKXUQFXGXFN-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.56
Rot. Bonds4

About 3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride

3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride (PubChem CID 119287433) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride
PubChem CID119287433
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride
SMILESCC(C)(N)C(=O)NCc1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-12(2,14)11(17)15-7-8-4-3-5-9(6-8)10(13)16;/h3-6H,7,14H2,1-2H3,(H2,13,16)(H,15,17);1H
InChIKeyGUFPKXUQFXGXFN-UHFFFAOYSA-N
XLogP0.56
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[(2-amino-2-methylpropanoyl)amino]methyl]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

3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[(propanoylamino)methyl]benzamide
CID 32636451
2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 61265568
3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 61220189
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
5-[(3-carbamoylphenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934225
3-[[(2-chloroacetyl)amino]methyl]benzamide
CID 61251496
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334
3-[(4-tert-butylanilino)methyl]benzamide
CID 28572040
3-[(prop-2-enoylamino)methyl]benzamide
CID 61250831
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865
3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide
CID 62669665

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride?
The IUPAC name of 3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride (CID 119287433) is 3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride?
The canonical SMILES for 3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride is CC(C)(N)C(=O)NCc1cccc(C(N)=O)c1.Cl.
What is the InChIKey of 3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride?
The InChIKey is GUFPKXUQFXGXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-12(2,14)11(17)15-7-8-4-3-5-9(6-8)10(13)16;/h3-6H,7,14H2,1-2H3,(H2,13,16)(H,15,17);1H.
What are the key properties of 3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride?
3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-2-methylpropanoyl)amino]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119287433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).