N-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide

C24H48N2OS — CID 18968676

IUPACN-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCN1CCSC1
InChIInChI=1S/C24H48N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-24(27)18-20-26-21-22-28-23-26/h2-23H2,1H3,(H,25,27)
InChIKeyODEMRAAISRAMED-UHFFFAOYSA-N
MW412.73 g/mol
LogP6.76
Rot. Bonds20

About N-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide

N-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide (PubChem CID 18968676) has the molecular formula C24H48N2OS and a molecular weight of 412.73 g/mol. Its IUPAC name is N-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide
PubChem CID18968676
Molecular FormulaC24H48N2OS
Molecular Weight412.73 g/mol
Exact Mass412.35
IUPAC NameN-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCN1CCSC1
InChIInChI=1S/C24H48N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-24(27)18-20-26-21-22-28-23-26/h2-23H2,1H3,(H,25,27)
InChIKeyODEMRAAISRAMED-UHFFFAOYSA-N
XLogP6.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.73
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide (CID 18968676) is N-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide is CCCCCCCCCCCCCCCCCCNC(=O)CCN1CCSC1.
What is the InChIKey of N-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide?
The InChIKey is ODEMRAAISRAMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-24(27)18-20-26-21-22-28-23-26/h2-23H2,1H3,(H,25,27).
What are the key properties of N-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide?
N-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide has a molecular weight of 412.73 g/mol, XLogP of 6.76, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecyl-3-(1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 18968676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).