3-propylsulfanyl-N,N-di(tetradecyl)propanamide

C34H69NOS — CID 170052716

IUPAC3-propylsulfanyl-N,N-di(tetradecyl)propanamide
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CCSCCC
InChIInChI=1S/C34H69NOS/c1-4-7-9-11-13-15-17-19-21-23-25-27-30-35(34(36)29-33-37-32-6-3)31-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-33H2,1-3H3
InChIKeyDOTDRTHGUYVCQF-UHFFFAOYSA-N
MW540.00 g/mol
LogP11.75
Rot. Bonds31

About 3-propylsulfanyl-N,N-di(tetradecyl)propanamide

3-propylsulfanyl-N,N-di(tetradecyl)propanamide (PubChem CID 170052716) has the molecular formula C34H69NOS and a molecular weight of 540.00 g/mol. Its IUPAC name is 3-propylsulfanyl-N,N-di(tetradecyl)propanamide.

Molecular Properties

Compound Name3-propylsulfanyl-N,N-di(tetradecyl)propanamide
PubChem CID170052716
Molecular FormulaC34H69NOS
Molecular Weight540.00 g/mol
Exact Mass539.51
IUPAC Name3-propylsulfanyl-N,N-di(tetradecyl)propanamide
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CCSCCC
InChIInChI=1S/C34H69NOS/c1-4-7-9-11-13-15-17-19-21-23-25-27-30-35(34(36)29-33-37-32-6-3)31-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-33H2,1-3H3
InChIKeyDOTDRTHGUYVCQF-UHFFFAOYSA-N
XLogP11.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.00
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyl-3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 559874
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl(propanoyl)amino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethyl-propanoylamino]ethylsulfanyl]-N,N-di(tetradecyl)propanamide
CID 172945128
3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 23451991
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302
N-butyl-N-octyldecanamide
CID 18913402
3-sulfanyl-N,N-di(tetradecyl)propanamide
CID 10791452
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946

Frequently Asked Questions

What is the IUPAC name of 3-propylsulfanyl-N,N-di(tetradecyl)propanamide?
The IUPAC name of 3-propylsulfanyl-N,N-di(tetradecyl)propanamide (CID 170052716) is 3-propylsulfanyl-N,N-di(tetradecyl)propanamide.
What is the SMILES notation for 3-propylsulfanyl-N,N-di(tetradecyl)propanamide?
The canonical SMILES for 3-propylsulfanyl-N,N-di(tetradecyl)propanamide is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CCSCCC.
What is the InChIKey of 3-propylsulfanyl-N,N-di(tetradecyl)propanamide?
The InChIKey is DOTDRTHGUYVCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69NOS/c1-4-7-9-11-13-15-17-19-21-23-25-27-30-35(34(36)29-33-37-32-6-3)31-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-33H2,1-3H3.
What are the key properties of 3-propylsulfanyl-N,N-di(tetradecyl)propanamide?
3-propylsulfanyl-N,N-di(tetradecyl)propanamide has a molecular weight of 540.00 g/mol, XLogP of 11.75, 31 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfanyl-N,N-di(tetradecyl)propanamide is sourced from PubChem (CID 170052716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).