4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride

C17H27ClN2O3 — CID 119554526

IUPAC4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCCOc1ccccc1OCCCC(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-3-21-15-7-4-5-8-16(15)22-12-6-9-17(20)19(2)14-10-11-18-13-14;/h4-5,7-8,14,18H,3,6,9-13H2,1-2H3;1H
InChIKeyQWEDWQPJPGOHTE-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.49
Rot. Bonds8

About 4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride

4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 119554526) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID119554526
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCCOc1ccccc1OCCCC(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-3-21-15-7-4-5-8-16(15)22-12-6-9-17(20)19(2)14-10-11-18-13-14;/h4-5,7-8,14,18H,3,6,9-13H2,1-2H3;1H
InChIKeyQWEDWQPJPGOHTE-UHFFFAOYSA-N
XLogP2.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552447
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553657
2-(2-methoxyphenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 94803435
2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide
CID 119442533
3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551855
4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553580
N-methyl-3-(2-phenylphenoxy)-N-piperidin-4-ylpropanamide
CID 119443416
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613703
3-(2,3-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119444434
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
(E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
CID 82177024

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 119554526) is 4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride is CCOc1ccccc1OCCCC(=O)N(C)C1CCNC1.Cl.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is QWEDWQPJPGOHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-3-21-15-7-4-5-8-16(15)22-12-6-9-17(20)19(2)14-10-11-18-13-14;/h4-5,7-8,14,18H,3,6,9-13H2,1-2H3;1H.
What are the key properties of 4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119554526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).