4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide

C15H30N2O2S — CID 155456056

IUPAC4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide
SMILESCSCCCCC(=O)NCCCNC(=O)CCC(C)C
InChIInChI=1S/C15H30N2O2S/c1-13(2)8-9-15(19)17-11-6-10-16-14(18)7-4-5-12-20-3/h13H,4-12H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNMZVJPADQAJZPK-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.58
Rot. Bonds12

About 4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide

4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide (PubChem CID 155456056) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide
PubChem CID155456056
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide
SMILESCSCCCCC(=O)NCCCNC(=O)CCC(C)C
InChIInChI=1S/C15H30N2O2S/c1-13(2)8-9-15(19)17-11-6-10-16-14(18)7-4-5-12-20-3/h13H,4-12H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNMZVJPADQAJZPK-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
CID 119434267
4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
CID 79191399
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
N-butyl-7-methyloctanamide
CID 154028337
N-(4-bromopentyl)-4-methylpentanamide
CID 106131429
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
5-hydroxy-N-(2-methylsulfanylethyl)pentanamide
CID 79198659
N-hexyl-6-methylheptanamide
CID 141197249
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide?
The IUPAC name of 4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide (CID 155456056) is 4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide?
The canonical SMILES for 4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide is CSCCCCC(=O)NCCCNC(=O)CCC(C)C.
What is the InChIKey of 4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide?
The InChIKey is NMZVJPADQAJZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-13(2)8-9-15(19)17-11-6-10-16-14(18)7-4-5-12-20-3/h13H,4-12H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide?
4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide has a molecular weight of 302.48 g/mol, XLogP of 2.58, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide is sourced from PubChem (CID 155456056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).