3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride

C15H25Cl2N3O — CID 119928884

IUPAC3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride
SMILESCN(CCC(=O)Nc1ccccc1Cl)CC(C)(C)CN.Cl
InChIInChI=1S/C15H24ClN3O.ClH/c1-15(2,10-17)11-19(3)9-8-14(20)18-13-7-5-4-6-12(13)16;/h4-7H,8-11,17H2,1-3H3,(H,18,20);1H
InChIKeyAGOCZRZKRWPICE-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.01
Rot. Bonds7

About 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride

3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride (PubChem CID 119928884) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride
PubChem CID119928884
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride
SMILESCN(CCC(=O)Nc1ccccc1Cl)CC(C)(C)CN.Cl
InChIInChI=1S/C15H24ClN3O.ClH/c1-15(2,10-17)11-19(3)9-8-14(20)18-13-7-5-4-6-12(13)16;/h4-7H,8-11,17H2,1-3H3,(H,18,20);1H
InChIKeyAGOCZRZKRWPICE-UHFFFAOYSA-N
XLogP3.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-chlorophenyl)propanamide
CID 79664559
methyl 3-[[3-(2-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62012452
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119928883
N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 24587420
2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 79653209
3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide
CID 79112697
3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide
CID 116652756
3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79651972

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride (CID 119928884) is 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride is CN(CCC(=O)Nc1ccccc1Cl)CC(C)(C)CN.Cl.
What is the InChIKey of 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride?
The InChIKey is AGOCZRZKRWPICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O.ClH/c1-15(2,10-17)11-19(3)9-8-14(20)18-13-7-5-4-6-12(13)16;/h4-7H,8-11,17H2,1-3H3,(H,18,20);1H.
What are the key properties of 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride?
3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride has a molecular weight of 334.29 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119928884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).