N-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide

C19H22N2O3 — CID 6496962

IUPACN-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide
SMILESCOc1ccc(N2CCCC2)c(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-23-16-9-10-18(21-11-5-6-12-21)17(13-16)20-19(22)14-24-15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,20,22)
InChIKeyDFXKVQWSDKQWIC-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.31
Rot. Bonds6

About N-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide

N-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide (PubChem CID 6496962) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide
PubChem CID6496962
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide
SMILESCOc1ccc(N2CCCC2)c(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-23-16-9-10-18(21-11-5-6-12-21)17(13-16)20-19(22)14-24-15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,20,22)
InChIKeyDFXKVQWSDKQWIC-UHFFFAOYSA-N
XLogP3.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide?
The IUPAC name of N-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide (CID 6496962) is N-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide is COc1ccc(N2CCCC2)c(NC(=O)COc2ccccc2)c1.
What is the InChIKey of N-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide?
The InChIKey is DFXKVQWSDKQWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-16-9-10-18(21-11-5-6-12-21)17(13-16)20-19(22)14-24-15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,20,22).
What are the key properties of N-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide?
N-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide has a molecular weight of 326.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-phenoxyacetamide is sourced from PubChem (CID 6496962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).