1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide

C17H24N2O3 — CID 51092522

IUPAC1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCCOc1cc(C)cc(C)c1
InChIInChI=1S/C17H24N2O3/c1-12-9-13(2)11-15(10-12)22-8-6-18-17(21)16-5-4-7-19(16)14(3)20/h9-11,16H,4-8H2,1-3H3,(H,18,21)
InChIKeyXRIIJNXCWDHOOP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.81
Rot. Bonds5

About 1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide

1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide (PubChem CID 51092522) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide
PubChem CID51092522
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCCOc1cc(C)cc(C)c1
InChIInChI=1S/C17H24N2O3/c1-12-9-13(2)11-15(10-12)22-8-6-18-17(21)16-5-4-7-19(16)14(3)20/h9-11,16H,4-8H2,1-3H3,(H,18,21)
InChIKeyXRIIJNXCWDHOOP-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide (CID 51092522) is 1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)NCCOc1cc(C)cc(C)c1.
What is the InChIKey of 1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is XRIIJNXCWDHOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-9-13(2)11-15(10-12)22-8-6-18-17(21)16-5-4-7-19(16)14(3)20/h9-11,16H,4-8H2,1-3H3,(H,18,21).
What are the key properties of 1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51092522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).