N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide

C14H29ClN2O3 — CID 170368379

IUPACN-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NCCOCCOCCCCCCCl
InChIInChI=1S/C14H29ClN2O3/c1-17(2)13-14(18)16-8-10-20-12-11-19-9-6-4-3-5-7-15/h3-13H2,1-2H3,(H,16,18)
InChIKeyWLOYBCPRQAZAET-UHFFFAOYSA-N
MW308.85 g/mol
LogP1.50
Rot. Bonds14

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

N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide (PubChem CID 170368379) has the molecular formula C14H29ClN2O3 and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide
PubChem CID170368379
Molecular FormulaC14H29ClN2O3
Molecular Weight308.85 g/mol
Exact Mass308.19
IUPAC NameN-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NCCOCCOCCCCCCCl
InChIInChI=1S/C14H29ClN2O3/c1-17(2)13-14(18)16-8-10-20-12-11-19-9-6-4-3-5-7-15/h3-13H2,1-2H3,(H,16,18)
InChIKeyWLOYBCPRQAZAET-UHFFFAOYSA-N
XLogP1.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

tert-butyl N-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethylamino]-2-oxoethyl]-N-methylcarbamate
CID 170368371
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
CID 129058822
tert-butyl N-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170540588
tert-butyl N-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 153344874
N-[2-(2-heptoxyethoxy)ethyl]propanamide
CID 154643004
2-[ethyl(methyl)amino]-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 139373767
N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide
CID 102440670
N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide
CID 170630354
methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate
CID 164593219
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
2-(dimethylamino)-N-(18-hydroxyoctadecyl)acetamide
CID 163653558
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide (CID 170368379) is N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)NCCOCCOCCCCCCCl.
What is the InChIKey of N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide?
The InChIKey is WLOYBCPRQAZAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClN2O3/c1-17(2)13-14(18)16-8-10-20-12-11-19-9-6-4-3-5-7-15/h3-13H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide?
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide has a molecular weight of 308.85 g/mol, XLogP of 1.50, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 170368379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).