N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide

C25H50N2O6S — CID 101252962

IUPACN-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide
SMILESCOCCOCCOCCOCCC(=O)NCCCCNC(=O)CCCCCCCCCCS
InChIInChI=1S/C25H50N2O6S/c1-30-17-18-32-21-22-33-20-19-31-16-13-25(29)27-15-10-9-14-26-24(28)12-8-6-4-2-3-5-7-11-23-34/h34H,2-23H2,1H3,(H,26,28)(H,27,29)
InChIKeyWALIFTYPQRMAQY-UHFFFAOYSA-N
MW506.75 g/mol
LogP3.53
Rot. Bonds27

About N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide

N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide (PubChem CID 101252962) has the molecular formula C25H50N2O6S and a molecular weight of 506.75 g/mol. Its IUPAC name is N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide.

Molecular Properties

Compound NameN-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide
PubChem CID101252962
Molecular FormulaC25H50N2O6S
Molecular Weight506.75 g/mol
Exact Mass506.34
IUPAC NameN-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide
SMILESCOCCOCCOCCOCCC(=O)NCCCCNC(=O)CCCCCCCCCCS
InChIInChI=1S/C25H50N2O6S/c1-30-17-18-32-21-22-33-20-19-31-16-13-25(29)27-15-10-9-14-26-24(28)12-8-6-4-2-3-5-7-11-23-34/h34H,2-23H2,1H3,(H,26,28)(H,27,29)
InChIKeyWALIFTYPQRMAQY-UHFFFAOYSA-N
XLogP3.53
TPSA95.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.75
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-sulfanyloctanamide
CID 71381103
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
CID 101361634
3-[[2-[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoylamino]acetyl]amino]propanoic acid
CID 175998260
N-(3-methoxypropyl)-4-sulfanylbutanamide
CID 58311886
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
CID 101129520
N-(5-sulfanylpentyl)hexanamide
CID 178061899
N-hexyl-8-sulfanyloctanamide
CID 101094845
N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
CID 107027119
N-pentyl-11-sulfanylundecanamide
CID 102272005
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
N-[2-(2-methoxyethoxy)ethyl]-6,8-bis(sulfanyl)octanamide
CID 102100758
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide?
The IUPAC name of N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide (CID 101252962) is N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide.
What is the SMILES notation for N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide?
The canonical SMILES for N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide is COCCOCCOCCOCCC(=O)NCCCCNC(=O)CCCCCCCCCCS.
What is the InChIKey of N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide?
The InChIKey is WALIFTYPQRMAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2O6S/c1-30-17-18-32-21-22-33-20-19-31-16-13-25(29)27-15-10-9-14-26-24(28)12-8-6-4-2-3-5-7-11-23-34/h34H,2-23H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide?
N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide has a molecular weight of 506.75 g/mol, XLogP of 3.53, 27 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]butyl]-11-sulfanylundecanamide is sourced from PubChem (CID 101252962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).