N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide

C18H39NO4S2Si — CID 167424811

IUPACN-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide
SMILESCC(C)NC(=O)CCSSCCC[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C18H39NO4S2Si/c1-14(2)19-18(20)10-12-25-24-11-9-13-26(21-15(3)4,22-16(5)6)23-17(7)8/h14-17H,9-13H2,1-8H3,(H,19,20)
InChIKeyDGGNNRUJEDLHSO-UHFFFAOYSA-N
MW425.73 g/mol
LogP4.89
Rot. Bonds15

About N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide

N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide (PubChem CID 167424811) has the molecular formula C18H39NO4S2Si and a molecular weight of 425.73 g/mol. Its IUPAC name is N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide
PubChem CID167424811
Molecular FormulaC18H39NO4S2Si
Molecular Weight425.73 g/mol
Exact Mass425.21
IUPAC NameN-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide
SMILESCC(C)NC(=O)CCSSCCC[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C18H39NO4S2Si/c1-14(2)19-18(20)10-12-25-24-11-9-13-26(21-15(3)4,22-16(5)6)23-17(7)8/h14-17H,9-13H2,1-8H3,(H,19,20)
InChIKeyDGGNNRUJEDLHSO-UHFFFAOYSA-N
XLogP4.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.73
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide?
The IUPAC name of N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide (CID 167424811) is N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide.
What is the SMILES notation for N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide?
The canonical SMILES for N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide is CC(C)NC(=O)CCSSCCC[Si](OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide?
The InChIKey is DGGNNRUJEDLHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO4S2Si/c1-14(2)19-18(20)10-12-25-24-11-9-13-26(21-15(3)4,22-16(5)6)23-17(7)8/h14-17H,9-13H2,1-8H3,(H,19,20).
What are the key properties of N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide?
N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide has a molecular weight of 425.73 g/mol, XLogP of 4.89, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[3-tri(propan-2-yloxy)silylpropyldisulfanyl]propanamide is sourced from PubChem (CID 167424811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).