2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C19H29ClN2O3 — CID 119530627

IUPAC2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESC=CCc1ccc(OCC(=O)N(CCC)C2CCNC2)c(OC)c1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-4-6-15-7-8-17(18(12-15)23-3)24-14-19(22)21(11-5-2)16-9-10-20-13-16;/h4,7-8,12,16,20H,1,5-6,9-11,13-14H2,2-3H3;1H
InChIKeyPGTXUSDSTIIPEJ-UHFFFAOYSA-N
MW368.91 g/mol
LogP2.82
Rot. Bonds9

About 2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119530627) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119530627
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESC=CCc1ccc(OCC(=O)N(CCC)C2CCNC2)c(OC)c1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-4-6-15-7-8-17(18(12-15)23-3)24-14-19(22)21(11-5-2)16-9-10-20-13-16;/h4,7-8,12,16,20H,1,5-6,9-11,13-14H2,2-3H3;1H
InChIKeyPGTXUSDSTIIPEJ-UHFFFAOYSA-N
XLogP2.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 112788449
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119531944
3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532395
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824020
3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine
CID 167890113
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823009
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119530627) is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is C=CCc1ccc(OCC(=O)N(CCC)C2CCNC2)c(OC)c1.Cl.
What is the InChIKey of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is PGTXUSDSTIIPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3.ClH/c1-4-6-15-7-8-17(18(12-15)23-3)24-14-19(22)21(11-5-2)16-9-10-20-13-16;/h4,7-8,12,16,20H,1,5-6,9-11,13-14H2,2-3H3;1H.
What are the key properties of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119530627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).