3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride

C14H23ClN2O — CID 119706013

IUPAC3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCN(CCc1ccccc1)C(=O)C(C)(C)CN.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-14(2,11-15)13(17)16(3)10-9-12-7-5-4-6-8-12;/h4-8H,9-11,15H2,1-3H3;1H
InChIKeyXXVGAQZFJQLQOM-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.09
Rot. Bonds5

About 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride

3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride (PubChem CID 119706013) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
PubChem CID119706013
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCN(CCc1ccccc1)C(=O)C(C)(C)CN.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-14(2,11-15)13(17)16(3)10-9-12-7-5-4-6-8-12;/h4-8H,9-11,15H2,1-3H3;1H
InChIKeyXXVGAQZFJQLQOM-UHFFFAOYSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115154766
N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide
CID 65487462
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide
CID 77070473
4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide
CID 115157141
2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589650
2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 28759347
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2,2-trimethylpropanamide
CID 115154760
(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 79012795
3-amino-2-hydroxy-N-methyl-N-(2-phenylethyl)propanamide
CID 115180819
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
CID 114328216
N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108962257

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride (CID 119706013) is 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride is CN(CCc1ccccc1)C(=O)C(C)(C)CN.Cl.
What is the InChIKey of 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride?
The InChIKey is XXVGAQZFJQLQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-14(2,11-15)13(17)16(3)10-9-12-7-5-4-6-8-12;/h4-8H,9-11,15H2,1-3H3;1H.
What are the key properties of 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride?
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119706013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).