N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide

C20H24N2O3 — CID 119680345

IUPACN-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)CC2CCCN2)cc1
InChIInChI=1S/C20H24N2O3/c1-2-24-16-9-11-17(12-10-16)25-19-8-4-3-7-18(19)22-20(23)14-15-6-5-13-21-15/h3-4,7-12,15,21H,2,5-6,13-14H2,1H3,(H,22,23)
InChIKeyQOWZJFKDYVRKJL-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.96
Rot. Bonds7

About N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide

N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119680345) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119680345
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)CC2CCCN2)cc1
InChIInChI=1S/C20H24N2O3/c1-2-24-16-9-11-17(12-10-16)25-19-8-4-3-7-18(19)22-20(23)14-15-6-5-13-21-15/h3-4,7-12,15,21H,2,5-6,13-14H2,1H3,(H,22,23)
InChIKeyQOWZJFKDYVRKJL-UHFFFAOYSA-N
XLogP3.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119680419
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-[2-(3-fluorophenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119745790
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 119812519
N-(4-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 119808246
N-[2-(ethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61370411
N-(5-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61364064
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
N-[2-(oxolan-3-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119808751
4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672214
2-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974382

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide (CID 119680345) is N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide is CCOc1ccc(Oc2ccccc2NC(=O)CC2CCCN2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is QOWZJFKDYVRKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-24-16-9-11-17(12-10-16)25-19-8-4-3-7-18(19)22-20(23)14-15-6-5-13-21-15/h3-4,7-12,15,21H,2,5-6,13-14H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 340.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119680345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).