3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide

C11H20N2O3 — CID 167785998

IUPAC3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide
SMILESCC1(C(N)=O)CN(CCOC2CCOC2)C1
InChIInChI=1S/C11H20N2O3/c1-11(10(12)14)7-13(8-11)3-5-16-9-2-4-15-6-9/h9H,2-8H2,1H3,(H2,12,14)
InChIKeyDFBMGJDDEXCVFE-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.40
Rot. Bonds5

About 3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide

3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide (PubChem CID 167785998) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide
PubChem CID167785998
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide
SMILESCC1(C(N)=O)CN(CCOC2CCOC2)C1
InChIInChI=1S/C11H20N2O3/c1-11(10(12)14)7-13(8-11)3-5-16-9-2-4-15-6-9/h9H,2-8H2,1H3,(H2,12,14)
InChIKeyDFBMGJDDEXCVFE-UHFFFAOYSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide?
The IUPAC name of 3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide (CID 167785998) is 3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for 3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide?
The canonical SMILES for 3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide is CC1(C(N)=O)CN(CCOC2CCOC2)C1.
What is the InChIKey of 3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide?
The InChIKey is DFBMGJDDEXCVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(10(12)14)7-13(8-11)3-5-16-9-2-4-15-6-9/h9H,2-8H2,1H3,(H2,12,14).
What are the key properties of 3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide?
3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 167785998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).