N-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide

C13H21NO3 — CID 166425327

IUPACN-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide
SMILESCOCCN(C(=O)C12CC1C2)C1CCOCC1
InChIInChI=1S/C13H21NO3/c1-16-7-4-14(11-2-5-17-6-3-11)12(15)13-8-10(13)9-13/h10-11H,2-9H2,1H3
InChIKeyJSCISAONIHILGU-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.05
Rot. Bonds5

About N-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide

N-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 166425327) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide
PubChem CID166425327
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide
SMILESCOCCN(C(=O)C12CC1C2)C1CCOCC1
InChIInChI=1S/C13H21NO3/c1-16-7-4-14(11-2-5-17-6-3-11)12(15)13-8-10(13)9-13/h10-11H,2-9H2,1H3
InChIKeyJSCISAONIHILGU-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Cyclobutylmorpholin-4-yl)-spiro[2.2]pentan-2-ylmethanone
CID 128924122
1-Bicyclo[1.1.0]butanyl(morpholin-4-yl)methanone
CID 171785782
Cyclobutyl-(3-methylmorpholin-4-yl)methanone
CID 84512282
N-cyclopropyl-N-(oxan-4-yl)cyclobutanecarboxamide
CID 110873079
2-Cyclopropyl-1-(3-methylmorpholin-4-yl)ethanone
CID 130747107
N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427443

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide (CID 166425327) is N-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide is COCCN(C(=O)C12CC1C2)C1CCOCC1.
What is the InChIKey of N-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is JSCISAONIHILGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-16-7-4-14(11-2-5-17-6-3-11)12(15)13-8-10(13)9-13/h10-11H,2-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide?
N-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 239.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(oxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 166425327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).