N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide

C17H26N2O3 — CID 95238690

IUPACN-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
SMILESCOCCN1CC[C@@H](CNC(=O)c2ccccc2COC)C1
InChIInChI=1S/C17H26N2O3/c1-21-10-9-19-8-7-14(12-19)11-18-17(20)16-6-4-3-5-15(16)13-22-2/h3-6,14H,7-13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyOXYJINGJTHBDMO-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.53
Rot. Bonds8

About N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide

N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide (PubChem CID 95238690) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
PubChem CID95238690
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
SMILESCOCCN1CC[C@@H](CNC(=O)c2ccccc2COC)C1
InChIInChI=1S/C17H26N2O3/c1-21-10-9-19-8-7-14(12-19)11-18-17(20)16-6-4-3-5-15(16)13-22-2/h3-6,14H,7-13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyOXYJINGJTHBDMO-AWEZNQCLSA-N
XLogP1.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
2-fluoro-N-[[1-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]methyl]benzamide
CID 131936819
5-hydroxy-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
CID 118782526
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 94021918
(2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 95161197
(2R)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 95161198
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-nitrobenzamide
CID 95293738
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(2-phenylethyl)piperidine-1-carboxamide
CID 126449856
5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide
CID 95330193
4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
CID 126433119
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 95159322

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide (CID 95238690) is N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide is COCCN1CC[C@@H](CNC(=O)c2ccccc2COC)C1.
What is the InChIKey of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide?
The InChIKey is OXYJINGJTHBDMO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-10-9-19-8-7-14(12-19)11-18-17(20)16-6-4-3-5-15(16)13-22-2/h3-6,14H,7-13H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide?
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide has a molecular weight of 306.41 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 95238690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).