(1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate

C17H22N2O5 — CID 46789775

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OC(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C17H22N2O5/c1-12-4-3-5-14(10-12)16(21)18-11-15(20)24-13(2)17(22)19-6-8-23-9-7-19/h3-5,10,13H,6-9,11H2,1-2H3,(H,18,21)
InChIKeyRYIKDRNKQNOZOX-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.52
Rot. Bonds5

About (1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate

(1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 46789775) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate
PubChem CID46789775
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OC(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C17H22N2O5/c1-12-4-3-5-14(10-12)16(21)18-11-15(20)24-13(2)17(22)19-6-8-23-9-7-19/h3-5,10,13H,6-9,11H2,1-2H3,(H,18,21)
InChIKeyRYIKDRNKQNOZOX-UHFFFAOYSA-N
XLogP0.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363839
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882223
3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 51149588
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363857
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363829
[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662636
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 46629792
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363899
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363910
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363856
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363647
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 42968944

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate (CID 46789775) is (1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate is Cc1cccc(C(=O)NCC(=O)OC(C)C(=O)N2CCOCC2)c1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate?
The InChIKey is RYIKDRNKQNOZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-12-4-3-5-14(10-12)16(21)18-11-15(20)24-13(2)17(22)19-6-8-23-9-7-19/h3-5,10,13H,6-9,11H2,1-2H3,(H,18,21).
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 334.37 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 46789775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).