N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide

C21H26N2O3 — CID 119723072

IUPACN-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cccc(COCCOc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c24-21(15-18-8-5-11-22-18)23-19-7-4-6-17(14-19)16-25-12-13-26-20-9-2-1-3-10-20/h1-4,6-7,9-10,14,18,22H,5,8,11-13,15-16H2,(H,23,24)
InChIKeyNFOULLDGKIMJCD-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.36
Rot. Bonds9

About N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide

N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119723072) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119723072
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cccc(COCCOc2ccccc2)c1
InChIInChI=1S/C21H26N2O3/c24-21(15-18-8-5-11-22-18)23-19-7-4-6-17(14-19)16-25-12-13-26-20-9-2-1-3-10-20/h1-4,6-7,9-10,14,18,22H,5,8,11-13,15-16H2,(H,23,24)
InChIKeyNFOULLDGKIMJCD-UHFFFAOYSA-N
XLogP3.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-phenoxyethoxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936766
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
N-[3-(2-fluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809010
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119723062
N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119846187
N-[4-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61366412
2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61366397
N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119776242
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
(2R,3S)-2-methyl-N-[3-(2-phenoxyethoxymethyl)phenyl]morpholine-3-carboxamide
CID 120924219

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide (CID 119723072) is N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1cccc(COCCOc2ccccc2)c1.
What is the InChIKey of N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is NFOULLDGKIMJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-21(15-18-8-5-11-22-18)23-19-7-4-6-17(14-19)16-25-12-13-26-20-9-2-1-3-10-20/h1-4,6-7,9-10,14,18,22H,5,8,11-13,15-16H2,(H,23,24).
What are the key properties of N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide?
N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 354.45 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119723072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).