3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide

C13H21N3O — CID 122080831

IUPAC3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)(N)CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C13H21N3O/c1-13(2,15)9-16-12(17)8-11(14)10-6-4-3-5-7-10/h3-7,11H,8-9,14-15H2,1-2H3,(H,16,17)
InChIKeyIYLXSNFDLBGBRG-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.93
Rot. Bonds5

About 3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide

3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide (PubChem CID 122080831) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
PubChem CID122080831
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)(N)CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C13H21N3O/c1-13(2,15)9-16-12(17)8-11(14)10-6-4-3-5-7-10/h3-7,11H,8-9,14-15H2,1-2H3,(H,16,17)
InChIKeyIYLXSNFDLBGBRG-UHFFFAOYSA-N
XLogP0.93
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride
CID 119952032
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270
3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119950814
3-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 119951094
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
CID 82724007
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide
CID 114155639
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226653
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide (CID 122080831) is 3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide is CC(C)(N)CNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide?
The InChIKey is IYLXSNFDLBGBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,15)9-16-12(17)8-11(14)10-6-4-3-5-7-10/h3-7,11H,8-9,14-15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide?
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 122080831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).