N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride

C13H21ClN2O — CID 119529465

IUPACN-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-13(2,3)12(16)15-9-11(14)10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3,(H,15,16);1H
InChIKeyJHZLGSHVQVRGHY-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.27
Rot. Bonds3

About N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride

N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119529465) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
PubChem CID119529465
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-13(2,3)12(16)15-9-11(14)10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3,(H,15,16);1H
InChIKeyJHZLGSHVQVRGHY-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-2-phenylethyl)-2-methyl-2-(phenylcarbamoylamino)propanamide
CID 119529696
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
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N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
CID 63833481
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
N-(2-amino-2-phenylethyl)-2-propan-2-yloxyacetamide;hydrochloride
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N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(2-amino-2-phenylethyl)-1-methylcyclopentane-1-carboxamide;hydrochloride
CID 119529565

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride (CID 119529465) is N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride is CC(C)(C)C(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is JHZLGSHVQVRGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-13(2,3)12(16)15-9-11(14)10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119529465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).