N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide

C20H40ClNO3 — CID 129058822

IUPACN-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCCOCCOCCCCCCCl
InChIInChI=1S/C20H40ClNO3/c1-2-3-4-5-6-7-10-13-20(23)22-15-17-25-19-18-24-16-12-9-8-11-14-21/h2-19H2,1H3,(H,22,23)
InChIKeyMFSWDBLMWLUDHY-UHFFFAOYSA-N
MW378.00 g/mol
LogP5.08
Rot. Bonds20

About N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide

N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide (PubChem CID 129058822) has the molecular formula C20H40ClNO3 and a molecular weight of 378.00 g/mol. Its IUPAC name is N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide.

Molecular Properties

Compound NameN-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
PubChem CID129058822
Molecular FormulaC20H40ClNO3
Molecular Weight378.00 g/mol
Exact Mass377.27
IUPAC NameN-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
SMILESCCCCCCCCCC(=O)NCCOCCOCCCCCCCl
InChIInChI=1S/C20H40ClNO3/c1-2-3-4-5-6-7-10-13-20(23)22-15-17-25-19-18-24-16-12-9-8-11-14-21/h2-19H2,1H3,(H,22,23)
InChIKeyMFSWDBLMWLUDHY-UHFFFAOYSA-N
XLogP5.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.00
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
5-chloro-N-nonylpentanamide
CID 91692760
N-(5-chloropentyl)dodecanamide
CID 107321143
N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide
CID 170630354
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-[2-(2-heptoxyethoxy)ethyl]propanamide
CID 154643004
N-(3-chloropropyl)dodecanamide
CID 17164369
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide?
The IUPAC name of N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide (CID 129058822) is N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide.
What is the SMILES notation for N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide?
The canonical SMILES for N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide is CCCCCCCCCC(=O)NCCOCCOCCCCCCCl.
What is the InChIKey of N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide?
The InChIKey is MFSWDBLMWLUDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40ClNO3/c1-2-3-4-5-6-7-10-13-20(23)22-15-17-25-19-18-24-16-12-9-8-11-14-21/h2-19H2,1H3,(H,22,23).
What are the key properties of N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide?
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide has a molecular weight of 378.00 g/mol, XLogP of 5.08, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide is sourced from PubChem (CID 129058822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).