2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C21H33N3O2 — CID 75921586

IUPAC2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCCC2CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C21H33N3O2/c1-16-6-8-19(9-7-16)11-22-21(25)15-24-10-4-5-20(24)14-23-12-17(2)26-18(3)13-23/h6-9,17-18,20H,4-5,10-15H2,1-3H3,(H,22,25)
InChIKeyFGRRVLHXXLBLPI-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.18
Rot. Bonds6

About 2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 75921586) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID75921586
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCCC2CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C21H33N3O2/c1-16-6-8-19(9-7-16)11-22-21(25)15-24-10-4-5-20(24)14-23-12-17(2)26-18(3)13-23/h6-9,17-18,20H,4-5,10-15H2,1-3H3,(H,22,25)
InChIKeyFGRRVLHXXLBLPI-UHFFFAOYSA-N
XLogP2.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]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

N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 100842720
2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 52506437
N-[2-(4-chlorophenyl)ethyl]-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 86850390
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119928642
N-cyclopropyl-2-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 95171694
N-cyclopropyl-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56799450
2-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 98727445
N-(2-bromophenyl)-2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 47810584
2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 124730258
2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 94798443
N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542148
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 94814878

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 75921586) is 2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CCCC2CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is FGRRVLHXXLBLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-16-6-8-19(9-7-16)11-22-21(25)15-24-10-4-5-20(24)14-23-12-17(2)26-18(3)13-23/h6-9,17-18,20H,4-5,10-15H2,1-3H3,(H,22,25).
What are the key properties of 2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 359.51 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 75921586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).