N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide

C16H23N3O3 — CID 119776242

IUPACN-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(=O)Nc1cccc(OCCNC(=O)CC2CCCN2)c1
InChIInChI=1S/C16H23N3O3/c1-12(20)19-14-4-2-6-15(10-14)22-9-8-18-16(21)11-13-5-3-7-17-13/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyVLMQWKPEPUFCIU-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.28
Rot. Bonds7

About N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide

N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119776242) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119776242
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(=O)Nc1cccc(OCCNC(=O)CC2CCCN2)c1
InChIInChI=1S/C16H23N3O3/c1-12(20)19-14-4-2-6-15(10-14)22-9-8-18-16(21)11-13-5-3-7-17-13/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyVLMQWKPEPUFCIU-UHFFFAOYSA-N
XLogP1.28
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.28
H-Bond Donors ≤ 53
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-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532
N-[3-(2-fluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809010
N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119734952
N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119778380
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757273
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119713721
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776231
N-[2-(2-propan-2-ylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119784417
N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119780508

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide (CID 119776242) is N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide is CC(=O)Nc1cccc(OCCNC(=O)CC2CCCN2)c1.
What is the InChIKey of N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is VLMQWKPEPUFCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(20)19-14-4-2-6-15(10-14)22-9-8-18-16(21)11-13-5-3-7-17-13/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 305.38 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119776242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).