N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide

C18H28N2O2 — CID 119780508

IUPACN-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)(C)c1ccccc1OCCNC(=O)CC1CCCN1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-8-4-5-9-16(15)22-12-11-20-17(21)13-14-7-6-10-19-14/h4-5,8-9,14,19H,6-7,10-13H2,1-3H3,(H,20,21)
InChIKeyFQYKBYKSZGRXJC-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.62
Rot. Bonds6

About N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide

N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119780508) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119780508
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)(C)c1ccccc1OCCNC(=O)CC1CCCN1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-8-4-5-9-16(15)22-12-11-20-17(21)13-14-7-6-10-19-14/h4-5,8-9,14,19H,6-7,10-13H2,1-3H3,(H,20,21)
InChIKeyFQYKBYKSZGRXJC-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.62
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

N-[2-(2-propan-2-ylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119784417
N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119734952
N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119776242
2-(2-tert-butylphenoxy)ethylcarbamic acid
CID 118869764
N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757273
3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride
CID 119321799
N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119778380
N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119748101
N-[2-(2-tert-butylphenoxy)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119780509
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571
N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119739702
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide (CID 119780508) is N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide is CC(C)(C)c1ccccc1OCCNC(=O)CC1CCCN1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is FQYKBYKSZGRXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)15-8-4-5-9-16(15)22-12-11-20-17(21)13-14-7-6-10-19-14/h4-5,8-9,14,19H,6-7,10-13H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 304.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119780508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).