2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

C22H28N2O3 — CID 51327763

IUPAC2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C22H28N2O3/c1-17(27-21-11-9-20(26-2)10-12-21)22(25)23-15-18-7-3-4-8-19(18)16-24-13-5-6-14-24/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,23,25)
InChIKeyHWYGVRYYSYWBHI-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.37
Rot. Bonds8

About 2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 51327763) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID51327763
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)NCc2ccccc2CN2CCCC2)cc1
InChIInChI=1S/C22H28N2O3/c1-17(27-21-11-9-20(26-2)10-12-21)22(25)23-15-18-7-3-4-8-19(18)16-24-13-5-6-14-24/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,23,25)
InChIKeyHWYGVRYYSYWBHI-UHFFFAOYSA-N
XLogP3.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51237843
(2R)-2-(4-fluorophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31644449
2-(4-methoxyphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767803
2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133187825
(2S)-2-(4-chlorophenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 27887220
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
2-(4-methoxyphenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969090
2-(4-methoxy-N-methylsulfonylanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133166185
2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9069058
(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94099373
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200091
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide
CID 24551017

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (CID 51327763) is 2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is COc1ccc(OC(C)C(=O)NCc2ccccc2CN2CCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is HWYGVRYYSYWBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(27-21-11-9-20(26-2)10-12-21)22(25)23-15-18-7-3-4-8-19(18)16-24-13-5-6-14-24/h3-4,7-12,17H,5-6,13-16H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 51327763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).