4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide

C17H33NO2S — CID 155721269

IUPAC4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide
SMILESCC(=O)CCC(=O)NCC(C)(C)CC(C)(C)SCC(C)C
InChIInChI=1S/C17H33NO2S/c1-13(2)10-21-17(6,7)11-16(4,5)12-18-15(20)9-8-14(3)19/h13H,8-12H2,1-7H3,(H,18,20)
InChIKeyYDORCRYEEFKJHF-UHFFFAOYSA-N
MW315.52 g/mol
LogP4.06
Rot. Bonds10

About 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide

4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide (PubChem CID 155721269) has the molecular formula C17H33NO2S and a molecular weight of 315.52 g/mol. Its IUPAC name is 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide.

Molecular Properties

Compound Name4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide
PubChem CID155721269
Molecular FormulaC17H33NO2S
Molecular Weight315.52 g/mol
Exact Mass315.22
IUPAC Name4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide
SMILESCC(=O)CCC(=O)NCC(C)(C)CC(C)(C)SCC(C)C
InChIInChI=1S/C17H33NO2S/c1-13(2)10-21-17(6,7)11-16(4,5)12-18-15(20)9-8-14(3)19/h13H,8-12H2,1-7H3,(H,18,20)
InChIKeyYDORCRYEEFKJHF-UHFFFAOYSA-N
XLogP4.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-(2,2,4-trimethyl-4-propylsulfanylpentyl)pentanamide
CID 164598800
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-oxopentanamide
CID 106277105
4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide
CID 115163175
4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide
CID 169106822
3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide
CID 4135025
N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide
CID 115271093
N-[2-(2-methylpropylamino)ethyl]-4-oxopentanamide
CID 167491425
3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide
CID 89061392
4-oxo-N-prop-2-ynylpentanamide
CID 60646238
N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide
CID 107153016
2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide
CID 167513354
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid
CID 110465776

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide?
The IUPAC name of 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide (CID 155721269) is 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide.
What is the SMILES notation for 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide?
The canonical SMILES for 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide is CC(=O)CCC(=O)NCC(C)(C)CC(C)(C)SCC(C)C.
What is the InChIKey of 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide?
The InChIKey is YDORCRYEEFKJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2S/c1-13(2)10-21-17(6,7)11-16(4,5)12-18-15(20)9-8-14(3)19/h13H,8-12H2,1-7H3,(H,18,20).
What are the key properties of 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide?
4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide has a molecular weight of 315.52 g/mol, XLogP of 4.06, 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-(2-methylpropylsulfanyl)pentyl]pentanamide is sourced from PubChem (CID 155721269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).