methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate

C19H19NO5 — CID 170505549

IUPACmethyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2c(C)cc(C3CCC3)oc2=O)c1
InChIInChI=1S/C19H19NO5/c1-11-9-15(12-5-3-6-12)25-19(23)16(11)17(21)20-14-8-4-7-13(10-14)18(22)24-2/h4,7-10,12H,3,5-6H2,1-2H3,(H,20,21)
InChIKeySRGMCCWTOIXEOY-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.25
Rot. Bonds4

About methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate

methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate (PubChem CID 170505549) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate
PubChem CID170505549
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2c(C)cc(C3CCC3)oc2=O)c1
InChIInChI=1S/C19H19NO5/c1-11-9-15(12-5-3-6-12)25-19(23)16(11)17(21)20-14-8-4-7-13(10-14)18(22)24-2/h4,7-10,12H,3,5-6H2,1-2H3,(H,20,21)
InChIKeySRGMCCWTOIXEOY-UHFFFAOYSA-N
XLogP3.25
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(3-cyclopentyloxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710732
6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide
CID 170513145
6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide
CID 170511370
methyl 3-[[2-(oxolan-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109252629
N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504605
6-cyclobutyl-4-methyl-N-(1,7-naphthyridin-8-yl)-2-oxopyran-3-carboxamide
CID 170503536
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171712491
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
methyl 3-[(2-cyclobutylacetyl)amino]benzoate
CID 103706367
methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate
CID 112999895
N-(4-butoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170510382

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate (CID 170505549) is methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2c(C)cc(C3CCC3)oc2=O)c1.
What is the InChIKey of methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate?
The InChIKey is SRGMCCWTOIXEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-11-9-15(12-5-3-6-12)25-19(23)16(11)17(21)20-14-8-4-7-13(10-14)18(22)24-2/h4,7-10,12H,3,5-6H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate?
methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate has a molecular weight of 341.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate is sourced from PubChem (CID 170505549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).