N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide

C19H38N2O3S — CID 134167212

IUPACN-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCCOCCNC(=O)CCSCC(C)(C)C
InChIInChI=1S/C19H38N2O3S/c1-18(2,3)9-7-16(22)20-10-12-24-13-11-21-17(23)8-14-25-15-19(4,5)6/h7-15H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyYQVVBXFEENTIIO-UHFFFAOYSA-N
MW374.59 g/mol
LogP3.23
Rot. Bonds12

About N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide

N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide (PubChem CID 134167212) has the molecular formula C19H38N2O3S and a molecular weight of 374.59 g/mol. Its IUPAC name is N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide
PubChem CID134167212
Molecular FormulaC19H38N2O3S
Molecular Weight374.59 g/mol
Exact Mass374.26
IUPAC NameN-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCCOCCNC(=O)CCSCC(C)(C)C
InChIInChI=1S/C19H38N2O3S/c1-18(2,3)9-7-16(22)20-10-12-24-13-11-21-17(23)8-14-25-15-19(4,5)6/h7-15H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyYQVVBXFEENTIIO-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-7,7-dimethyloctanamide
CID 135193572
N-[2-(3,3-dimethylbutylamino)ethyl]-3-(2,2-dimethylpropylsulfanyl)propanamide
CID 139446931
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 168855315
N-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethyl]-3-methylbutanamide
CID 135139796
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide
CID 58070977
N-[2-(tert-butyldisulfanyl)ethyl]-4,4-dimethylpentanamide
CID 88559041
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-[2-(2-chloroethoxy)ethyl]-3-methylsulfanylpropanamide
CID 114297749
N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide
CID 90290747

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide?
The IUPAC name of N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide (CID 134167212) is N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)NCCOCCNC(=O)CCSCC(C)(C)C.
What is the InChIKey of N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide?
The InChIKey is YQVVBXFEENTIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O3S/c1-18(2,3)9-7-16(22)20-10-12-24-13-11-21-17(23)8-14-25-15-19(4,5)6/h7-15H2,1-6H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide?
N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide has a molecular weight of 374.59 g/mol, XLogP of 3.23, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 134167212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).