2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

C24H33N2O5+ — CID 8857291

IUPAC2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)C[NH+]2CCC[C@@H]2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C24H32N2O5/c1-4-30-18-7-9-19(10-8-18)31-15-13-25-24(27)17-26-14-5-6-22(26)21-12-11-20(28-2)16-23(21)29-3/h7-12,16,22H,4-6,13-15,17H2,1-3H3,(H,25,27)/p+1/t22-/m1/s1
InChIKeyNUGMHXQWVSQHQC-JOCHJYFZSA-O
MW429.54 g/mol
LogP2.02
Rot. Bonds11

About 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (PubChem CID 8857291) has the molecular formula C24H33N2O5+ and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
PubChem CID8857291
Molecular FormulaC24H33N2O5+
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC Name2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)C[NH+]2CCC[C@@H]2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C24H32N2O5/c1-4-30-18-7-9-19(10-8-18)31-15-13-25-24(27)17-26-14-5-6-22(26)21-12-11-20(28-2)16-23(21)29-3/h7-12,16,22H,4-6,13-15,17H2,1-3H3,(H,25,27)/p+1/t22-/m1/s1
InChIKeyNUGMHXQWVSQHQC-JOCHJYFZSA-O
XLogP2.02
TPSA70.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-prop-2-ynylacetamide
CID 8856752
methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]carbamate
CID 8856175
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8857198
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8835014
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 11934341
methyl 3-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-4-methylbenzoate
CID 8854593
N-(5-chloro-2-methoxyphenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 8853708
4-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide
CID 8835136
N-(2-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 8835046
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-naphthalen-2-ylacetamide
CID 8834988
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-phenylethyl)acetamide
CID 8832363
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 9267145

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (CID 8857291) is 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is CCOc1ccc(OCCNC(=O)C[NH+]2CCC[C@@H]2c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The InChIKey is NUGMHXQWVSQHQC-JOCHJYFZSA-O. The full InChI is InChI=1S/C24H32N2O5/c1-4-30-18-7-9-19(10-8-18)31-15-13-25-24(27)17-26-14-5-6-22(26)21-12-11-20(28-2)16-23(21)29-3/h7-12,16,22H,4-6,13-15,17H2,1-3H3,(H,25,27)/p+1/t22-/m1/s1.
What are the key properties of 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide has a molecular weight of 429.54 g/mol, XLogP of 2.02, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 8857291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).