N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide

C21H26N2O2 — CID 67648354

IUPACN-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)NCCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c24-21(15-19-10-11-22-16-19)23-12-13-25-20-8-6-18(7-9-20)14-17-4-2-1-3-5-17/h1-9,19,22H,10-16H2,(H,23,24)
InChIKeyRIDDWNQXSYQORK-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.77
Rot. Bonds8

About N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide

N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide (PubChem CID 67648354) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide
PubChem CID67648354
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)NCCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c24-21(15-19-10-11-22-16-19)23-12-13-25-20-8-6-18(7-9-20)14-17-4-2-1-3-5-17/h1-9,19,22H,10-16H2,(H,23,24)
InChIKeyRIDDWNQXSYQORK-UHFFFAOYSA-N
XLogP2.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 64609991
N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 99624808
N-(2-phenoxyethyl)-3-piperidin-4-ylpropanamide
CID 62211306
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564423
3-[2-(4-benzylphenoxy)ethyl]azetidine
CID 107391708
2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119533647
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
N-(3-phenoxypropyl)-3-piperidin-4-ylpropanamide
CID 62378766
4-[(4-benzylphenoxy)methyl]piperidine
CID 23722975
N-(3-phenylpropyl)-2-piperidin-4-ylacetamide
CID 60905850
2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 66290707
3-(4-propoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119536345

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide (CID 67648354) is N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide is O=C(CC1CCNC1)NCCOc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide?
The InChIKey is RIDDWNQXSYQORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-21(15-19-10-11-22-16-19)23-12-13-25-20-8-6-18(7-9-20)14-17-4-2-1-3-5-17/h1-9,19,22H,10-16H2,(H,23,24).
What are the key properties of N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide?
N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide has a molecular weight of 338.45 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 67648354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).