N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide

C13H24N2O2 — CID 119820405

IUPACN-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide
SMILESCOCCC1(CNC(=O)C2CCNC2)CCC1
InChIInChI=1S/C13H24N2O2/c1-17-8-6-13(4-2-5-13)10-15-12(16)11-3-7-14-9-11/h11,14H,2-10H2,1H3,(H,15,16)
InChIKeyWKULAFIZDCISHQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.92
Rot. Bonds6

About N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide

N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 119820405) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide
PubChem CID119820405
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide
SMILESCOCCC1(CNC(=O)C2CCNC2)CCC1
InChIInChI=1S/C13H24N2O2/c1-17-8-6-13(4-2-5-13)10-15-12(16)11-3-7-14-9-11/h11,14H,2-10H2,1H3,(H,15,16)
InChIKeyWKULAFIZDCISHQ-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide (CID 119820405) is N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide is COCCC1(CNC(=O)C2CCNC2)CCC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is WKULAFIZDCISHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-8-6-13(4-2-5-13)10-15-12(16)11-3-7-14-9-11/h11,14H,2-10H2,1H3,(H,15,16).
What are the key properties of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide?
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119820405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).