(2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide

C17H28N2O — CID 71855133

IUPAC(2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide
SMILESCC(C)[C@@H](C(=O)NCC(C)(C)c1ccccc1)N(C)C
InChIInChI=1S/C17H28N2O/c1-13(2)15(19(5)6)16(20)18-12-17(3,4)14-10-8-7-9-11-14/h7-11,13,15H,12H2,1-6H3,(H,18,20)/t15-/m0/s1
InChIKeyWILVKCZOBWMKJK-HNNXBMFYSA-N
MW276.42 g/mol
LogP2.67
Rot. Bonds6

About (2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide

(2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide (PubChem CID 71855133) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide
PubChem CID71855133
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide
SMILESCC(C)[C@@H](C(=O)NCC(C)(C)c1ccccc1)N(C)C
InChIInChI=1S/C17H28N2O/c1-13(2)15(19(5)6)16(20)18-12-17(3,4)14-10-8-7-9-11-14/h7-11,13,15H,12H2,1-6H3,(H,18,20)/t15-/m0/s1
InChIKeyWILVKCZOBWMKJK-HNNXBMFYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide
CID 111334765
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
CID 110459934
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542
N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
CID 119627492
3-amino-2-methyl-N-(2-methyl-2-phenylpropyl)-3-phenylpropanamide
CID 119724309
3-amino-N-(2-methyl-2-phenylpropyl)-2-phenylpropanamide;hydrochloride
CID 119724299
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide
CID 119528234
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide
CID 93398886
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
CID 78880258
2-hydroxy-N-(2-methyl-2-phenylpropyl)acetamide
CID 115140248

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide?
The IUPAC name of (2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide (CID 71855133) is (2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide?
The canonical SMILES for (2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide is CC(C)[C@@H](C(=O)NCC(C)(C)c1ccccc1)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide?
The InChIKey is WILVKCZOBWMKJK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)15(19(5)6)16(20)18-12-17(3,4)14-10-8-7-9-11-14/h7-11,13,15H,12H2,1-6H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide?
(2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide has a molecular weight of 276.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide is sourced from PubChem (CID 71855133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).