3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide

C11H21N3O2 — CID 106103750

IUPAC3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide
SMILESCCCNC(=O)N1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C11H21N3O2/c1-4-6-13-10(16)14-7-5-11(2,8-14)9(15)12-3/h4-8H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyGWODXMTUDHXLGA-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.56
Rot. Bonds3

About 3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide

3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide (PubChem CID 106103750) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide
PubChem CID106103750
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide
SMILESCCCNC(=O)N1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C11H21N3O2/c1-4-6-13-10(16)14-7-5-11(2,8-14)9(15)12-3/h4-8H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyGWODXMTUDHXLGA-UHFFFAOYSA-N
XLogP0.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide?
The IUPAC name of 3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide (CID 106103750) is 3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide is CCCNC(=O)N1CCC(C)(C(=O)NC)C1.
What is the InChIKey of 3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide?
The InChIKey is GWODXMTUDHXLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-6-13-10(16)14-7-5-11(2,8-14)9(15)12-3/h4-8H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of 3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide?
3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 106103750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).