2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide

C14H26N2O4 — CID 146648698

IUPAC2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide
SMILESCNC1OC1COCCOCCNC(=O)CC1CCC1
InChIInChI=1S/C14H26N2O4/c1-15-14-12(20-14)10-19-8-7-18-6-5-16-13(17)9-11-3-2-4-11/h11-12,14-15H,2-10H2,1H3,(H,16,17)
InChIKeyLRWUJBBILMKHBI-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.27
Rot. Bonds11

About 2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide

2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide (PubChem CID 146648698) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide
PubChem CID146648698
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide
SMILESCNC1OC1COCCOCCNC(=O)CC1CCC1
InChIInChI=1S/C14H26N2O4/c1-15-14-12(20-14)10-19-8-7-18-6-5-16-13(17)9-11-3-2-4-11/h11-12,14-15H,2-10H2,1H3,(H,16,17)
InChIKeyLRWUJBBILMKHBI-UHFFFAOYSA-N
XLogP0.27
TPSA72.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroethoxy)ethyl]-2-cyclobutylacetamide
CID 103166701
2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide;ethane
CID 176700323
2-cyclohexyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 113258414
2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid
CID 79457520
N-(3-butoxypropyl)-2-cyclopentylacetamide
CID 78785153
N-(2-chloroethyl)-2-cyclobutylacetamide
CID 103164388
N-(2-ethoxyethyl)-2-piperidin-3-ylacetamide
CID 62689521
2-cyclobutyl-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877418
2-cyclobutyl-N-methylacetamide
CID 57296172
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 103162228
2-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 103799929
2-cyclopentyl-N-[2-[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111392658

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide (CID 146648698) is 2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide is CNC1OC1COCCOCCNC(=O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide?
The InChIKey is LRWUJBBILMKHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-15-14-12(20-14)10-19-8-7-18-6-5-16-13(17)9-11-3-2-4-11/h11-12,14-15H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide?
2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide has a molecular weight of 286.37 g/mol, XLogP of 0.27, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[2-[2-[[3-(methylamino)oxiran-2-yl]methoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 146648698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).