2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide

C20H30N2O2 — CID 46878014

IUPAC2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCOc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C20H30N2O2/c1-21(20(23)15-16-9-3-6-12-19(16)24-2)17-10-4-5-11-18(17)22-13-7-8-14-22/h3,6,9,12,17-18H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,18+/m1/s1
InChIKeyXXUIHHCQRMCYSJ-MSOLQXFVSA-N
MW330.47 g/mol
LogP3.10
Rot. Bonds5

About 2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide

2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (PubChem CID 46878014) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
PubChem CID46878014
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCOc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C20H30N2O2/c1-21(20(23)15-16-9-3-6-12-19(16)24-2)17-10-4-5-11-18(17)22-13-7-8-14-22/h3,6,9,12,17-18H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,18+/m1/s1
InChIKeyXXUIHHCQRMCYSJ-MSOLQXFVSA-N
XLogP3.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (CID 46878014) is 2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is COc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The InChIKey is XXUIHHCQRMCYSJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-21(20(23)15-16-9-3-6-12-19(16)24-2)17-10-4-5-11-18(17)22-13-7-8-14-22/h3,6,9,12,17-18H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of 2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide has a molecular weight of 330.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is sourced from PubChem (CID 46878014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).