N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide

C15H22N2O2 — CID 61371395

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCOc1ccc(CCNC(=O)CC2CCCN2)cc1
InChIInChI=1S/C15H22N2O2/c1-19-14-6-4-12(5-7-14)8-10-17-15(18)11-13-3-2-9-16-13/h4-7,13,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyKVUKWENVPKSWLT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.50
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 61371395) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID61371395
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCOc1ccc(CCNC(=O)CC2CCCN2)cc1
InChIInChI=1S/C15H22N2O2/c1-19-14-6-4-12(5-7-14)8-10-17-15(18)11-13-3-2-9-16-13/h4-7,13,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyKVUKWENVPKSWLT-UHFFFAOYSA-N
XLogP1.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide (CID 61371395) is N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide is COc1ccc(CCNC(=O)CC2CCCN2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is KVUKWENVPKSWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-14-6-4-12(5-7-14)8-10-17-15(18)11-13-3-2-9-16-13/h4-7,13,16H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61371395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).