4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide

C12H20N2OS — CID 115157089

IUPAC4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
SMILESCC(C)(CCN)C(=O)NCCc1cccs1
InChIInChI=1S/C12H20N2OS/c1-12(2,6-7-13)11(15)14-8-5-10-4-3-9-16-10/h3-4,9H,5-8,13H2,1-2H3,(H,14,15)
InChIKeyQIHCVZQXCZFRTK-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.78
Rot. Bonds6

About 4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide

4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 115157089) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID115157089
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
SMILESCC(C)(CCN)C(=O)NCCc1cccs1
InChIInChI=1S/C12H20N2OS/c1-12(2,6-7-13)11(15)14-8-5-10-4-3-9-16-10/h3-4,9H,5-8,13H2,1-2H3,(H,14,15)
InChIKeyQIHCVZQXCZFRTK-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 60847685
4-amino-3,3-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157405
2,2-dimethyl-4-(4-methylsulfanylphenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 44759178
4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 115157160
3-amino-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119679292
4-amino-2,2-dimethyl-N-thiophen-2-ylbutanamide
CID 115156865
N'-(2-thiophen-2-ylethyl)oxamide
CID 115192053
(2R,3R)-2-hydroxy-2-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 124608254
tert-butyl 2-oxo-2-(2-thiophen-2-ylethylamino)acetate
CID 115141760
8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one
CID 116574838
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate
CID 8956999
3,3-dimethyl-5-oxo-5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 62934552

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of 4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide (CID 115157089) is 4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide is CC(C)(CCN)C(=O)NCCc1cccs1.
What is the InChIKey of 4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is QIHCVZQXCZFRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2,6-7-13)11(15)14-8-5-10-4-3-9-16-10/h3-4,9H,5-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide?
4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 240.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 115157089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).