(2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide

C17H25ClN2O3 — CID 95161197

IUPAC(2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
SMILESCOCCN1CC[C@@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O3/c1-13(23-16-6-4-3-5-15(16)18)17(21)19-11-14-7-8-20(12-14)9-10-22-2/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyIEUCMGUBTHHVTA-KBPBESRZSA-N
MW340.85 g/mol
LogP2.19
Rot. Bonds8

About (2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide

(2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide (PubChem CID 95161197) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
PubChem CID95161197
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
SMILESCOCCN1CC[C@@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O3/c1-13(23-16-6-4-3-5-15(16)18)17(21)19-11-14-7-8-20(12-14)9-10-22-2/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyIEUCMGUBTHHVTA-KBPBESRZSA-N
XLogP2.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 95161198
(2R)-2-(2-chlorophenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702543
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
(2R)-2-(2-chlorophenoxy)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]propanamide
CID 94815626
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
(2R)-2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 97062875
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 94040489
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015153
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010
2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 79676776
1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea
CID 72913939
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide (CID 95161197) is (2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide is COCCN1CC[C@@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)C1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is IEUCMGUBTHHVTA-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-13(23-16-6-4-3-5-15(16)18)17(21)19-11-14-7-8-20(12-14)9-10-22-2/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide?
(2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 340.85 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 95161197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).