2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide

C19H31N3O2 — CID 166623466

IUPAC2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCOCCN1CCC(CN(C)CC(=O)NCc2ccccc2C)C1
InChIInChI=1S/C19H31N3O2/c1-16-6-4-5-7-18(16)12-20-19(23)15-21(2)13-17-8-9-22(14-17)10-11-24-3/h4-7,17H,8-15H2,1-3H3,(H,20,23)
InChIKeyUPSDAGVMRICTNU-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.51
Rot. Bonds9

About 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide

2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 166623466) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID166623466
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCOCCN1CCC(CN(C)CC(=O)NCc2ccccc2C)C1
InChIInChI=1S/C19H31N3O2/c1-16-6-4-5-7-18(16)12-20-19(23)15-21(2)13-17-8-9-22(14-17)10-11-24-3/h4-7,17H,8-15H2,1-3H3,(H,20,23)
InChIKeyUPSDAGVMRICTNU-UHFFFAOYSA-N
XLogP1.51
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 171321399
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 56802568
2-[[(3S)-1,1-dioxothiolan-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 95775435
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 60505271
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111789543
N-[(2-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 95969501
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine
CID 134696870
2-[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 72934495
2-[cyclohexyl(methyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 51224648
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904532
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 171385232

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide (CID 166623466) is 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide is COCCN1CCC(CN(C)CC(=O)NCc2ccccc2C)C1.
What is the InChIKey of 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is UPSDAGVMRICTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16-6-4-5-7-18(16)12-20-19(23)15-21(2)13-17-8-9-22(14-17)10-11-24-3/h4-7,17H,8-15H2,1-3H3,(H,20,23).
What are the key properties of 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 166623466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).