2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide

C18H26N2O4 — CID 51293073

IUPAC2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)N1CCOC(C)C1)C(C)C
InChIInChI=1S/C18H26N2O4/c1-12(2)16(18(22)20-9-10-24-13(3)11-20)19-17(21)14-7-5-6-8-15(14)23-4/h5-8,12-13,16H,9-11H2,1-4H3,(H,19,21)
InChIKeyTWRNNULJSIBZHU-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.70
Rot. Bonds5

About 2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide

2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide (PubChem CID 51293073) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide
PubChem CID51293073
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)N1CCOC(C)C1)C(C)C
InChIInChI=1S/C18H26N2O4/c1-12(2)16(18(22)20-9-10-24-13(3)11-20)19-17(21)14-7-5-6-8-15(14)23-4/h5-8,12-13,16H,9-11H2,1-4H3,(H,19,21)
InChIKeyTWRNNULJSIBZHU-UHFFFAOYSA-N
XLogP1.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119394766
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 34580207
(3aS,6aR)-2-[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682304
2,6-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 110348628
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9208969
N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide
CID 79680362
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8847927
4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid
CID 119239108
2-bromo-N-[1-(2-methylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 46673844
N-[1-[4-(azepane-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55991059
(2S)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-2-methylmorpholine-4-carboxamide
CID 95760588
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide (CID 51293073) is 2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide is COc1ccccc1C(=O)NC(C(=O)N1CCOC(C)C1)C(C)C.
What is the InChIKey of 2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide?
The InChIKey is TWRNNULJSIBZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12(2)16(18(22)20-9-10-24-13(3)11-20)19-17(21)14-7-5-6-8-15(14)23-4/h5-8,12-13,16H,9-11H2,1-4H3,(H,19,21).
What are the key properties of 2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide?
2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-methyl-1-(2-methylmorpholin-4-yl)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51293073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).