(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

C21H26N2O2 — CID 94099373

IUPAC(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C21H26N2O2/c1-17(25-20-10-3-2-4-11-20)21(24)22-15-18-8-7-9-19(14-18)16-23-12-5-6-13-23/h2-4,7-11,14,17H,5-6,12-13,15-16H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyOVHOBKXJGLBIJH-QGZVFWFLSA-N
MW338.45 g/mol
LogP3.37
Rot. Bonds7

About (2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 94099373) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID94099373
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)NCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C21H26N2O2/c1-17(25-20-10-3-2-4-11-20)21(24)22-15-18-8-7-9-19(14-18)16-23-12-5-6-13-23/h2-4,7-11,14,17H,5-6,12-13,15-16H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyOVHOBKXJGLBIJH-QGZVFWFLSA-N
XLogP3.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
2-(4-chloro-3,5-dimethylphenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189337
2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189350
2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51237843
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
2-(4-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17482286
2-(4-ethylphenoxy)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133189295
2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767450
2-(4-methoxyphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767803
(2S)-2-(4-fluorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31591923
(2R)-2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015246

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (CID 94099373) is (2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is C[C@@H](Oc1ccccc1)C(=O)NCc1cccc(CN2CCCC2)c1.
What is the InChIKey of (2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is OVHOBKXJGLBIJH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17(25-20-10-3-2-4-11-20)21(24)22-15-18-8-7-9-19(14-18)16-23-12-5-6-13-23/h2-4,7-11,14,17H,5-6,12-13,15-16H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 94099373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).