3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride

C15H25ClN2O — CID 119951541

IUPAC3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
SMILESCCC(C)(CC)NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-4-15(3,5-2)17-14(18)11-13(16)12-9-7-6-8-10-12;/h6-10,13H,4-5,11,16H2,1-3H3,(H,17,18);1H
InChIKeyGHKTYWIJKWFFOO-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.19
Rot. Bonds6

About 3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride

3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 119951541) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
PubChem CID119951541
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
SMILESCCC(C)(CC)NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-4-15(3,5-2)17-14(18)11-13(16)12-9-7-6-8-10-12;/h6-10,13H,4-5,11,16H2,1-3H3,(H,17,18);1H
InChIKeyGHKTYWIJKWFFOO-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 122080681
ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951175
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoate
CID 119950043
3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952059
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
CID 82724007
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119953291
3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119951812
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 115748700
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119953989
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride (CID 119951541) is 3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride is CCC(C)(CC)NC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is GHKTYWIJKWFFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-4-15(3,5-2)17-14(18)11-13(16)12-9-7-6-8-10-12;/h6-10,13H,4-5,11,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).