2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide

C20H24N2O2 — CID 24817934

IUPAC2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C20H24N2O2/c1-2-19(24-16-10-4-3-5-11-16)20(23)21-17-12-6-7-13-18(17)22-14-8-9-15-22/h3-7,10-13,19H,2,8-9,14-15H2,1H3,(H,21,23)
InChIKeyWEWYVTZGKTUSAL-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.08
Rot. Bonds6

About 2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide

2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 24817934) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide
PubChem CID24817934
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C20H24N2O2/c1-2-19(24-16-10-4-3-5-11-16)20(23)21-17-12-6-7-13-18(17)22-14-8-9-15-22/h3-7,10-13,19H,2,8-9,14-15H2,1H3,(H,21,23)
InChIKeyWEWYVTZGKTUSAL-UHFFFAOYSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide (CID 24817934) is 2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide is CCC(Oc1ccccc1)C(=O)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is WEWYVTZGKTUSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-19(24-16-10-4-3-5-11-16)20(23)21-17-12-6-7-13-18(17)22-14-8-9-15-22/h3-7,10-13,19H,2,8-9,14-15H2,1H3,(H,21,23).
What are the key properties of 2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide?
2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 324.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(2-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 24817934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).