4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide

C16H34N2OS — CID 58264042

IUPAC4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide
SMILESCN(C)CC(CC(=O)NCC(C)(C)C)SCC(C)(C)C
InChIInChI=1S/C16H34N2OS/c1-15(2,3)11-17-14(19)9-13(10-18(7)8)20-12-16(4,5)6/h13H,9-12H2,1-8H3,(H,17,19)
InChIKeyBYFSCUFNKQBMAO-UHFFFAOYSA-N
MW302.53 g/mol
LogP3.25
Rot. Bonds7

About 4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide

4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide (PubChem CID 58264042) has the molecular formula C16H34N2OS and a molecular weight of 302.53 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide
PubChem CID58264042
Molecular FormulaC16H34N2OS
Molecular Weight302.53 g/mol
Exact Mass302.24
IUPAC Name4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide
SMILESCN(C)CC(CC(=O)NCC(C)(C)C)SCC(C)(C)C
InChIInChI=1S/C16H34N2OS/c1-15(2,3)11-17-14(19)9-13(10-18(7)8)20-12-16(4,5)6/h13H,9-12H2,1-8H3,(H,17,19)
InChIKeyBYFSCUFNKQBMAO-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide?
The IUPAC name of 4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide (CID 58264042) is 4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide?
The canonical SMILES for 4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide is CN(C)CC(CC(=O)NCC(C)(C)C)SCC(C)(C)C.
What is the InChIKey of 4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide?
The InChIKey is BYFSCUFNKQBMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2OS/c1-15(2,3)11-17-14(19)9-13(10-18(7)8)20-12-16(4,5)6/h13H,9-12H2,1-8H3,(H,17,19).
What are the key properties of 4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide?
4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide has a molecular weight of 302.53 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide is sourced from PubChem (CID 58264042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).