4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide

C14H24N2OS — CID 115157160

IUPAC4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
SMILESCC(C)(CCN)C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C14H24N2OS/c1-13(2,7-8-15)12(17)16-10-14(3,4)11-6-5-9-18-11/h5-6,9H,7-8,10,15H2,1-4H3,(H,16,17)
InChIKeyXVQVWVRCSVMPNN-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.52
Rot. Bonds6

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

4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide (PubChem CID 115157160) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
PubChem CID115157160
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
SMILESCC(C)(CCN)C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C14H24N2OS/c1-13(2,7-8-15)12(17)16-10-14(3,4)11-6-5-9-18-11/h5-6,9H,7-8,10,15H2,1-4H3,(H,16,17)
InChIKeyXVQVWVRCSVMPNN-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
2-carbamothioyl-2-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 80527462
5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide
CID 80527343
2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 81312766
2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide
CID 80526849
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157089
4-amino-2-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 80526929
4-amino-2,2-dimethyl-N-thiophen-2-ylbutanamide
CID 115156865
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
N-(2-amino-2-ethylbutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 119642853
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide?
The IUPAC name of 4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide (CID 115157160) is 4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide.
What is the SMILES notation for 4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide?
The canonical SMILES for 4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide is CC(C)(CCN)C(=O)NCC(C)(C)c1cccs1.
What is the InChIKey of 4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide?
The InChIKey is XVQVWVRCSVMPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-13(2,7-8-15)12(17)16-10-14(3,4)11-6-5-9-18-11/h5-6,9H,7-8,10,15H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide?
4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide has a molecular weight of 268.43 g/mol, XLogP of 2.52, 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-methyl-2-thiophen-2-ylpropyl)butanamide is sourced from PubChem (CID 115157160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).