2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide

C13H27N3O2 — CID 83072304

IUPAC2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCCN(C)CCOC)CCCN1
InChIInChI=1S/C13H27N3O2/c1-4-13(6-5-7-15-13)12(17)14-8-9-16(2)10-11-18-3/h15H,4-11H2,1-3H3,(H,14,17)
InChIKeyFBXDTQYBRBHSBA-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds8

About 2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide

2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide (PubChem CID 83072304) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
PubChem CID83072304
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCCN(C)CCOC)CCCN1
InChIInChI=1S/C13H27N3O2/c1-4-13(6-5-7-15-13)12(17)14-8-9-16(2)10-11-18-3/h15H,4-11H2,1-3H3,(H,14,17)
InChIKeyFBXDTQYBRBHSBA-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide (CID 83072304) is 2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide is CCC1(C(=O)NCCN(C)CCOC)CCCN1.
What is the InChIKey of 2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is FBXDTQYBRBHSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-13(6-5-7-15-13)12(17)14-8-9-16(2)10-11-18-3/h15H,4-11H2,1-3H3,(H,14,17).
What are the key properties of 2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide?
2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83072304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).