4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide

C16H31NO2S — CID 164598800

IUPAC4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide
SMILESCCCSC(C)(C)CC(C)(C)CNC(=O)CCC(C)=O
InChIInChI=1S/C16H31NO2S/c1-7-10-20-16(5,6)11-15(3,4)12-17-14(19)9-8-13(2)18/h7-12H2,1-6H3,(H,17,19)
InChIKeyBUUJSAPPYQVFAP-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.81
Rot. Bonds10

About 4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide

4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide (PubChem CID 164598800) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide.

Molecular Properties

Compound Name4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide
PubChem CID164598800
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide
SMILESCCCSC(C)(C)CC(C)(C)CNC(=O)CCC(C)=O
InChIInChI=1S/C16H31NO2S/c1-7-10-20-16(5,6)11-15(3,4)12-17-14(19)9-8-13(2)18/h7-12H2,1-6H3,(H,17,19)
InChIKeyBUUJSAPPYQVFAP-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide?
The IUPAC name of 4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide (CID 164598800) is 4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide.
What is the SMILES notation for 4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide?
The canonical SMILES for 4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide is CCCSC(C)(C)CC(C)(C)CNC(=O)CCC(C)=O.
What is the InChIKey of 4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide?
The InChIKey is BUUJSAPPYQVFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-7-10-20-16(5,6)11-15(3,4)12-17-14(19)9-8-13(2)18/h7-12H2,1-6H3,(H,17,19).
What are the key properties of 4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide?
4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide has a molecular weight of 301.50 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide is sourced from PubChem (CID 164598800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).