3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide

C15H24N2O — CID 80551789

IUPAC3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
SMILESCCC(C)(C)NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-5-15(3,4)17-14(18)11(2)13(16)12-9-7-6-8-10-12/h6-11,13H,5,16H2,1-4H3,(H,17,18)
InChIKeyONWGAFCCFRHMOG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.63
Rot. Bonds5

About 3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide

3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide (PubChem CID 80551789) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
PubChem CID80551789
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
SMILESCCC(C)(C)NC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-5-15(3,4)17-14(18)11(2)13(16)12-9-7-6-8-10-12/h6-11,13H,5,16H2,1-4H3,(H,17,18)
InChIKeyONWGAFCCFRHMOG-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738242
3-amino-2-methyl-3-phenyl-N-(2-phenylpropan-2-yl)propanamide;hydrochloride
CID 119709318
N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide
CID 43113751
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
3-amino-N-ethylsulfonyl-2-methyl-3-phenylpropanamide
CID 103307056
3-amino-2-methyl-N-(2-methyl-2-phenylpropyl)-3-phenylpropanamide
CID 119724309
3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide
CID 119795633
3-amino-2-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-3-phenylpropanamide;dihydrochloride
CID 119877886
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide (CID 80551789) is 3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide is CCC(C)(C)NC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide?
The InChIKey is ONWGAFCCFRHMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-15(3,4)17-14(18)11(2)13(16)12-9-7-6-8-10-12/h6-11,13H,5,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide?
3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 80551789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).