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

C23H30N2O3 — CID 133190452

IUPAC2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H30N2O3/c1-3-21(28-22-10-5-4-7-18(22)2)23(26)24-16-19-8-6-9-20(15-19)17-25-11-13-27-14-12-25/h4-10,15,21H,3,11-14,16-17H2,1-2H3,(H,24,26)
InChIKeyGCULQBNVLZLYGR-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.30
Rot. Bonds8

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

2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide (PubChem CID 133190452) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
PubChem CID133190452
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H30N2O3/c1-3-21(28-22-10-5-4-7-18(22)2)23(26)24-16-19-8-6-9-20(15-19)17-25-11-13-27-14-12-25/h4-10,15,21H,3,11-14,16-17H2,1-2H3,(H,24,26)
InChIKeyGCULQBNVLZLYGR-UHFFFAOYSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190446
(2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 99818249
(2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 99131490
(2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015546
(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide
CID 27889691
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
1-(2-methylphenyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 87008869
(2S)-2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 28635390
2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 43886298
(2R)-2-(2,3-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015566
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide
CID 132760630
2-(4-ethylphenoxy)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133189295

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide (CID 133190452) is 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide is CCC(Oc1ccccc1C)C(=O)NCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is GCULQBNVLZLYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-21(28-22-10-5-4-7-18(22)2)23(26)24-16-19-8-6-9-20(15-19)17-25-11-13-27-14-12-25/h4-10,15,21H,3,11-14,16-17H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 382.50 g/mol, XLogP of 3.30, 8 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]butanamide is sourced from PubChem (CID 133190452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).