N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride

C14H22ClN3O2 — CID 119711356

IUPACN-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride
SMILESCC(=O)Nc1cc(NC(=O)C(C)(C)CN)ccc1C.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9-5-6-11(7-12(9)16-10(2)18)17-13(19)14(3,4)8-15;/h5-7H,8,15H2,1-4H3,(H,16,18)(H,17,19);1H
InChIKeyZGWUZFBEEAAZJZ-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.30
Rot. Bonds4

About N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride

N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119711356) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride
PubChem CID119711356
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride
SMILESCC(=O)Nc1cc(NC(=O)C(C)(C)CN)ccc1C.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9-5-6-11(7-12(9)16-10(2)18)17-13(19)14(3,4)8-15;/h5-7H,8,15H2,1-4H3,(H,16,18)(H,17,19);1H
InChIKeyZGWUZFBEEAAZJZ-UHFFFAOYSA-N
XLogP2.30
TPSA84.22 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 ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;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-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
CID 107701407
3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119676324
5-[(3-amino-2,2-dimethylpropanoyl)amino]-2-methylbenzoic acid
CID 113307660
3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide
CID 115426300
N-(3-acetamido-4-methylphenyl)-3-amino-3-methylbutanamide
CID 64684853
3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
CID 119670425
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466
N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
CID 81484636
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119669219
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119675447
(2S)-N-(3-acetamido-4-methylphenyl)-2-aminobutanamide
CID 79024532
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride (CID 119711356) is N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride is CC(=O)Nc1cc(NC(=O)C(C)(C)CN)ccc1C.Cl.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is ZGWUZFBEEAAZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-9-5-6-11(7-12(9)16-10(2)18)17-13(19)14(3,4)8-15;/h5-7H,8,15H2,1-4H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride?
N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119711356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).