2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

C22H28N2O3 — CID 133190446

IUPAC2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCc1ccccc1OC(C)C(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C22H28N2O3/c1-17-6-3-4-9-21(17)27-18(2)22(25)23-15-19-7-5-8-20(14-19)16-24-10-12-26-13-11-24/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,23,25)
InChIKeyMGLWTQYNDGGAJJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.91
Rot. Bonds7

About 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (PubChem CID 133190446) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
PubChem CID133190446
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCc1ccccc1OC(C)C(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C22H28N2O3/c1-17-6-3-4-9-21(17)27-18(2)22(25)23-15-19-7-5-8-20(14-19)16-24-10-12-26-13-11-24/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,23,25)
InChIKeyMGLWTQYNDGGAJJ-UHFFFAOYSA-N
XLogP2.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 133190452
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
(2R)-2-(2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 93488370
(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 39643721
2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189350
1-(2-methylphenyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 87008869
(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94099373
2-(4-chloro-3,5-dimethylphenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189337
(2S)-2-(2-methoxyphenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 95706646
(2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 99818249
2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767407
2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626689

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (CID 133190446) is 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is Cc1ccccc1OC(C)C(=O)NCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is MGLWTQYNDGGAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17-6-3-4-9-21(17)27-18(2)22(25)23-15-19-7-5-8-20(14-19)16-24-10-12-26-13-11-24/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 133190446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).