N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride

C19H31ClN2O2 — CID 24832267

IUPACN-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCCN(C(=O)CN1CCCC1)C(C)COc1ccc(C)cc1C.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-5-21(19(22)13-20-10-6-7-11-20)17(4)14-23-18-9-8-15(2)12-16(18)3;/h8-9,12,17H,5-7,10-11,13-14H2,1-4H3;1H
InChIKeyYVYFSAUYZMPSKK-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.44
Rot. Bonds7

About N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride

N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 24832267) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID24832267
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC NameN-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCCN(C(=O)CN1CCCC1)C(C)COc1ccc(C)cc1C.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-5-21(19(22)13-20-10-6-7-11-20)17(4)14-23-18-9-8-15(2)12-16(18)3;/h8-9,12,17H,5-7,10-11,13-14H2,1-4H3;1H
InChIKeyYVYFSAUYZMPSKK-UHFFFAOYSA-N
XLogP3.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 24832267) is N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride is CCN(C(=O)CN1CCCC1)C(C)COc1ccc(C)cc1C.Cl.
What is the InChIKey of N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is YVYFSAUYZMPSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-5-21(19(22)13-20-10-6-7-11-20)17(4)14-23-18-9-8-15(2)12-16(18)3;/h8-9,12,17H,5-7,10-11,13-14H2,1-4H3;1H.
What are the key properties of N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenoxy)propan-2-yl]-N-ethyl-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 24832267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).