6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide

C17H31NO5 — CID 158591848

IUPAC6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide
SMILESC#CCN(C)C(=O)CCCCCOCCOCCOCCOC
InChIInChI=1S/C17H31NO5/c1-4-9-18(2)17(19)8-6-5-7-10-21-13-14-23-16-15-22-12-11-20-3/h1H,5-16H2,2-3H3
InChIKeyHUNQYDWGIRCHDJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.33
Rot. Bonds16

About 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide

6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide (PubChem CID 158591848) has the molecular formula C17H31NO5 and a molecular weight of 329.44 g/mol. Its IUPAC name is 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide.

Molecular Properties

Compound Name6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide
PubChem CID158591848
Molecular FormulaC17H31NO5
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC Name6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide
SMILESC#CCN(C)C(=O)CCCCCOCCOCCOCCOC
InChIInChI=1S/C17H31NO5/c1-4-9-18(2)17(19)8-6-5-7-10-21-13-14-23-16-15-22-12-11-20-3/h1H,5-16H2,2-3H3
InChIKeyHUNQYDWGIRCHDJ-UHFFFAOYSA-N
XLogP1.33
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,8-bis(2-methoxyethoxy)octane
CID 143118909
ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
N-(cyanomethyl)-3-methoxy-N-methylpropanamide
CID 62590044
8-(2-methoxyethoxy)-2-methyloctan-3-one
CID 103413613
N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide
CID 103908940
N-(cyanomethyl)-4-ethoxy-N-methylbutanamide
CID 78915918
ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate
CID 103176658
4-ethoxy-N-propyl-N-prop-2-ynylbutanamide
CID 78970496
N,N-diethyl-4-hexoxybutanamide
CID 176838101
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid
CID 115731246

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide?
The IUPAC name of 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide (CID 158591848) is 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide.
What is the SMILES notation for 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide?
The canonical SMILES for 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide is C#CCN(C)C(=O)CCCCCOCCOCCOCCOC.
What is the InChIKey of 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide?
The InChIKey is HUNQYDWGIRCHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO5/c1-4-9-18(2)17(19)8-6-5-7-10-21-13-14-23-16-15-22-12-11-20-3/h1H,5-16H2,2-3H3.
What are the key properties of 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide?
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide has a molecular weight of 329.44 g/mol, XLogP of 1.33, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide is sourced from PubChem (CID 158591848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).