N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride

C14H22ClN3O2 — CID 119320424

IUPACN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride
SMILESCC(C)(C)C(NC(=O)c1ccc(CN)cc1)C(N)=O.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-14(2,3)11(12(16)18)17-13(19)10-6-4-9(8-15)5-7-10;/h4-7,11H,8,15H2,1-3H3,(H2,16,18)(H,17,19);1H
InChIKeyQXSREAWTZFOJCL-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.20
Rot. Bonds4

About N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride (PubChem CID 119320424) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride
PubChem CID119320424
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride
SMILESCC(C)(C)C(NC(=O)c1ccc(CN)cc1)C(N)=O.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-14(2,3)11(12(16)18)17-13(19)10-6-4-9(8-15)5-7-10;/h4-7,11H,8,15H2,1-3H3,(H2,16,18)(H,17,19);1H
InChIKeyQXSREAWTZFOJCL-UHFFFAOYSA-N
XLogP1.20
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)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

(2S)-2-[[4-(aminomethyl)benzoyl]amino]-3,3-dimethylbutanoic acid
CID 61160949
4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride
CID 119325324
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 61464238
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
methyl 3-[[4-(aminomethyl)benzoyl]amino]butanoate;hydrochloride
CID 119274296
4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
CID 119334920
4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119323110
4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119273373
4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride
CID 119287416
4-(aminomethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43699907
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride (CID 119320424) is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride is CC(C)(C)C(NC(=O)c1ccc(CN)cc1)C(N)=O.Cl.
What is the InChIKey of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride?
The InChIKey is QXSREAWTZFOJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-14(2,3)11(12(16)18)17-13(19)10-6-4-9(8-15)5-7-10;/h4-7,11H,8,15H2,1-3H3,(H2,16,18)(H,17,19);1H.
What are the key properties of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride?
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-4-(aminomethyl)benzamide;hydrochloride is sourced from PubChem (CID 119320424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).