2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide

C18H28N2O4 — CID 51226739

IUPAC2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCCC1c1cc(OC)ccc1OC
InChIInChI=1S/C18H28N2O4/c1-22-11-5-9-19-18(21)13-20-10-4-6-16(20)15-12-14(23-2)7-8-17(15)24-3/h7-8,12,16H,4-6,9-11,13H2,1-3H3,(H,19,21)
InChIKeyURDYABQJUKFNAX-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.99
Rot. Bonds9

About 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide

2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 51226739) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID51226739
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCCC1c1cc(OC)ccc1OC
InChIInChI=1S/C18H28N2O4/c1-22-11-5-9-19-18(21)13-20-10-4-6-16(20)15-12-14(23-2)7-8-17(15)24-3/h7-8,12,16H,4-6,9-11,13H2,1-3H3,(H,19,21)
InChIKeyURDYABQJUKFNAX-UHFFFAOYSA-N
XLogP1.99
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)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-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide
CID 8834006
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 8833875
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8831486
2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide
CID 24574965
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8833361
2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8833574
N-(cyclopentylcarbamoyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46671211
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8831276
4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8833892
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8834010
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46615040

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide (CID 51226739) is 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCCC1c1cc(OC)ccc1OC.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is URDYABQJUKFNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-22-11-5-9-19-18(21)13-20-10-4-6-16(20)15-12-14(23-2)7-8-17(15)24-3/h7-8,12,16H,4-6,9-11,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 336.43 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 51226739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).