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

C17H24N2O3 — CID 51149588

IUPAC3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
SMILESCc1cccc(C(=O)NC(C(=O)N2CCOCC2)C(C)C)c1
InChIInChI=1S/C17H24N2O3/c1-12(2)15(17(21)19-7-9-22-10-8-19)18-16(20)14-6-4-5-13(3)11-14/h4-6,11-12,15H,7-10H2,1-3H3,(H,18,20)
InChIKeyRHAMUUQIESKKSO-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.61
Rot. Bonds4

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

3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide (PubChem CID 51149588) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
PubChem CID51149588
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
SMILESCc1cccc(C(=O)NC(C(=O)N2CCOCC2)C(C)C)c1
InChIInChI=1S/C17H24N2O3/c1-12(2)15(17(21)19-7-9-22-10-8-19)18-16(20)14-6-4-5-13(3)11-14/h4-6,11-12,15H,7-10H2,1-3H3,(H,18,20)
InChIKeyRHAMUUQIESKKSO-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147508
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide;hydrochloride
CID 119414689
N-[(2S)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 31611312
N-[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 2109061
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
3-fluoro-1-[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]pyrrolidine-3-carboxylic acid
CID 119258876
N-[(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 24537442
N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide;hydrochloride
CID 119483760
N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 25473963
3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide
CID 118417206
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide?
The IUPAC name of 3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide (CID 51149588) is 3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide?
The canonical SMILES for 3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide is Cc1cccc(C(=O)NC(C(=O)N2CCOCC2)C(C)C)c1.
What is the InChIKey of 3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide?
The InChIKey is RHAMUUQIESKKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)15(17(21)19-7-9-22-10-8-19)18-16(20)14-6-4-5-13(3)11-14/h4-6,11-12,15H,7-10H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide?
3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide has a molecular weight of 304.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide is sourced from PubChem (CID 51149588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).