N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide

C18H25N3O3 — CID 119803364

IUPACN-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NC1CC(=O)N(CCOc2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c22-17(11-14-5-4-8-19-14)20-15-12-18(23)21(13-15)9-10-24-16-6-2-1-3-7-16/h1-3,6-7,14-15,19H,4-5,8-13H2,(H,20,22)
InChIKeyNKGRGRJKFOGZLN-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.92
Rot. Bonds7

About N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide

N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119803364) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide
PubChem CID119803364
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NC1CC(=O)N(CCOc2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c22-17(11-14-5-4-8-19-14)20-15-12-18(23)21(13-15)9-10-24-16-6-2-1-3-7-16/h1-3,6-7,14-15,19H,4-5,8-13H2,(H,20,22)
InChIKeyNKGRGRJKFOGZLN-UHFFFAOYSA-N
XLogP0.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide (CID 119803364) is N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NC1CC(=O)N(CCOc2ccccc2)C1.
What is the InChIKey of N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is NKGRGRJKFOGZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17(11-14-5-4-8-19-14)20-15-12-18(23)21(13-15)9-10-24-16-6-2-1-3-7-16/h1-3,6-7,14-15,19H,4-5,8-13H2,(H,20,22).
What are the key properties of N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide?
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 331.42 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119803364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).