N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide

C16H22N2O3 — CID 78777337

IUPACN-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C16H22N2O3/c1-12(2)14(16(20)18-8-10-21-11-9-18)17-15(19)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,19)
InChIKeyZJXFCOFCXLYKAE-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.30
Rot. Bonds4

About N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide

N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide (PubChem CID 78777337) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
PubChem CID78777337
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C16H22N2O3/c1-12(2)14(16(20)18-8-10-21-11-9-18)17-15(19)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,19)
InChIKeyZJXFCOFCXLYKAE-UHFFFAOYSA-N
XLogP1.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 51149588
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 167898934
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167
N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide
CID 3903536
N-methyl-4-[[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoylamino]benzamide
CID 95975366
N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 23851243
2-benzamido-N-[(2S,3R)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 7242642
4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid
CID 119239108
N-[(2R)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24739182
N-[1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-bromobenzamide
CID 42934338
N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide?
The IUPAC name of N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide (CID 78777337) is N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide.
What is the SMILES notation for N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide?
The canonical SMILES for N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide is CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide?
The InChIKey is ZJXFCOFCXLYKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)14(16(20)18-8-10-21-11-9-18)17-15(19)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide?
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide is sourced from PubChem (CID 78777337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).