(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide

C14H22N2O — CID 95180326

IUPAC(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)[C@@H](N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-14(2,3)11-8-6-10(7-9-11)12(15)13(17)16(4)5/h6-9,12H,15H2,1-5H3/t12-/m0/s1
InChIKeyMUPYJCIMZRZAOL-LBPRGKRZSA-N
MW234.34 g/mol
LogP2.07
Rot. Bonds2

About (2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide

(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide (PubChem CID 95180326) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide
PubChem CID95180326
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)[C@@H](N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-14(2,3)11-8-6-10(7-9-11)12(15)13(17)16(4)5/h6-9,12H,15H2,1-5H3/t12-/m0/s1
InChIKeyMUPYJCIMZRZAOL-LBPRGKRZSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide 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

(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
2-amino-N,N-dimethyl-2-(4-methylsulfanylphenyl)acetamide
CID 116850141
2-amino-2-(4-tert-butylphenyl)-N-methylacetamide
CID 83535922
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride
CID 161285414
(1R)-1-amino-1-[1-(4-tert-butylphenyl)ethyl-methylamino]propan-2-one
CID 143822735
2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide
CID 55034895
2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide
CID 83978608
2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide
CID 116848886
2-amino-2-(4-fluorophenyl)-N-methylacetohydrazide
CID 116848885
2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179679
(4-tert-butylphenyl)-(dimethylamino)methanol
CID 116909511
ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide?
The IUPAC name of (2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide (CID 95180326) is (2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide.
What is the SMILES notation for (2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide?
The canonical SMILES for (2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide is CN(C)C(=O)[C@@H](N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide?
The InChIKey is MUPYJCIMZRZAOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)11-8-6-10(7-9-11)12(15)13(17)16(4)5/h6-9,12H,15H2,1-5H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide?
(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide has a molecular weight of 234.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 95180326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).