N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane

C16H37NO5 — CID 178085327

IUPACN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane
SMILESC.CC.CCCCOCCOCCOCCNC(=O)COC
InChIInChI=1S/C13H27NO5.C2H6.CH4/c1-3-4-6-17-8-10-19-11-9-18-7-5-14-13(15)12-16-2;1-2;/h3-12H2,1-2H3,(H,14,15);1-2H3;1H4
InChIKeyRRVFUWSGZQOJPZ-UHFFFAOYSA-N
MW323.47 g/mol
LogP2.26
Rot. Bonds14

About N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane (PubChem CID 178085327) has the molecular formula C16H37NO5 and a molecular weight of 323.47 g/mol. Its IUPAC name is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane.

Molecular Properties

Compound NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane
PubChem CID178085327
Molecular FormulaC16H37NO5
Molecular Weight323.47 g/mol
Exact Mass323.27
IUPAC NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane
SMILESC.CC.CCCCOCCOCCOCCNC(=O)COC
InChIInChI=1S/C13H27NO5.C2H6.CH4/c1-3-4-6-17-8-10-19-11-9-18-7-5-14-13(15)12-16-2;1-2;/h3-12H2,1-2H3,(H,14,15);1-2H3;1H4
InChIKeyRRVFUWSGZQOJPZ-UHFFFAOYSA-N
XLogP2.26
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155715449
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
2-methoxy-N-(3-propoxypropyl)acetamide
CID 82947081
N-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl]propanamide
CID 118258329
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide
CID 172626027
2-(2-butoxyethoxy)-N-(2-hydroxyethyl)acetamide
CID 89471630
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
2-(2-methoxyethoxy)-N-[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-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
N-[2-[2-(5-acetamidopentoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155056819
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane?
The IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane (CID 178085327) is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane.
What is the SMILES notation for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane?
The canonical SMILES for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane is C.CC.CCCCOCCOCCOCCNC(=O)COC.
What is the InChIKey of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane?
The InChIKey is RRVFUWSGZQOJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5.C2H6.CH4/c1-3-4-6-17-8-10-19-11-9-18-7-5-14-13(15)12-16-2;1-2;/h3-12H2,1-2H3,(H,14,15);1-2H3;1H4.
What are the key properties of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane?
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane has a molecular weight of 323.47 g/mol, XLogP of 2.26, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane is sourced from PubChem (CID 178085327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).