2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide

C14H22N2O — CID 116850478

IUPAC2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide
SMILESCNC(=O)C(N)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-14(2,3)11-7-5-10(6-8-11)9-12(15)13(17)16-4/h5-8,12H,9,15H2,1-4H3,(H,16,17)
InChIKeyIDXYTDWMYGVYOP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.60
Rot. Bonds3

About 2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide

2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide (PubChem CID 116850478) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide
PubChem CID116850478
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide
SMILESCNC(=O)C(N)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-14(2,3)11-7-5-10(6-8-11)9-12(15)13(17)16-4/h5-8,12H,9,15H2,1-4H3,(H,16,17)
InChIKeyIDXYTDWMYGVYOP-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
CID 143606958
2-(aminomethyl)-3-(4-tert-butylphenyl)-N-methylpropanamide
CID 62095937
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
(3S)-3-amino-4-[4-(1,1-difluoroethyl)phenyl]butan-2-one
CID 163727286
2-amino-2-(4-tert-butylphenyl)-N-methylacetamide
CID 83535922
(2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide
CID 119328654
(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 20638149
2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
CID 174822105
(2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid
CID 66819935
2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
CID 116850489
3-(4-tert-butylphenyl)-2-hydroxypropanamide
CID 69343223

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide?
The IUPAC name of 2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide (CID 116850478) is 2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide is CNC(=O)C(N)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide?
The InChIKey is IDXYTDWMYGVYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)11-7-5-10(6-8-11)9-12(15)13(17)16-4/h5-8,12H,9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide?
2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide is sourced from PubChem (CID 116850478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).