2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide

C16H24N2O3 — CID 119533647

IUPAC2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(COCCOc1ccccc1)NCCC1CCNC1
InChIInChI=1S/C16H24N2O3/c19-16(18-9-7-14-6-8-17-12-14)13-20-10-11-21-15-4-2-1-3-5-15/h1-5,14,17H,6-13H2,(H,18,19)
InChIKeyIRFABFSQSSTLIT-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.20
Rot. Bonds9

About 2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide

2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 119533647) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID119533647
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(COCCOc1ccccc1)NCCC1CCNC1
InChIInChI=1S/C16H24N2O3/c19-16(18-9-7-14-6-8-17-12-14)13-20-10-11-21-15-4-2-1-3-5-15/h1-5,14,17H,6-13H2,(H,18,19)
InChIKeyIRFABFSQSSTLIT-UHFFFAOYSA-N
XLogP1.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564423
1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide
CID 119536703
N-(2-phenoxyethyl)-3-piperidin-4-ylpropanamide
CID 62211306
3-(2-phenoxyethoxymethyl)pyrrolidine
CID 56829876
N-(2-hydroxyethyl)-2-(2-phenoxyethoxy)acetamide
CID 78883192
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634
4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534000
2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537117
3-(4-propoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119536345
N-(3-phenoxypropyl)-3-piperidin-4-ylpropanamide
CID 62378766

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 119533647) is 2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide is O=C(COCCOc1ccccc1)NCCC1CCNC1.
What is the InChIKey of 2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is IRFABFSQSSTLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-16(18-9-7-14-6-8-17-12-14)13-20-10-11-21-15-4-2-1-3-5-15/h1-5,14,17H,6-13H2,(H,18,19).
What are the key properties of 2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 119533647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).