4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride

C18H29ClN2O3 — CID 119534000

IUPAC4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
SMILESCCOc1ccc(OCCCC(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-2-22-16-5-7-17(8-6-16)23-13-3-4-18(21)20-12-10-15-9-11-19-14-15;/h5-8,15,19H,2-4,9-14H2,1H3,(H,20,21);1H
InChIKeyNBQBCDVPJQOETJ-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.78
Rot. Bonds10

About 4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride

4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride (PubChem CID 119534000) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
PubChem CID119534000
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
SMILESCCOc1ccc(OCCCC(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-2-22-16-5-7-17(8-6-16)23-13-3-4-18(21)20-12-10-15-9-11-19-14-15;/h5-8,15,19H,2-4,9-14H2,1H3,(H,20,21);1H
InChIKeyNBQBCDVPJQOETJ-UHFFFAOYSA-N
XLogP2.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119538281
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119537733
5-(4-methylsulfonylphenoxy)-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119534985
3-(4-propoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119536345
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
3-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555554
3-(4-chlorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555737
N-(2-piperidin-3-ylethyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119555166
3-(4-methylsulfonylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119558807
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride (CID 119534000) is 4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride is CCOc1ccc(OCCCC(=O)NCCC2CCNC2)cc1.Cl.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The InChIKey is NBQBCDVPJQOETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-2-22-16-5-7-17(8-6-16)23-13-3-4-18(21)20-12-10-15-9-11-19-14-15;/h5-8,15,19H,2-4,9-14H2,1H3,(H,20,21);1H.
What are the key properties of 4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119534000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).