methyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate

C16H15NO5 — CID 2764230

IUPACmethyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1C
InChIInChI=1S/C16H15NO5/c1-9-4-6-11(7-5-9)14(18)17-13-8-12(15(19)21-3)10(2)22-16(13)20/h4-8H,1-3H3,(H,17,18)
InChIKeyBLJMKYABASEBND-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.30
Rot. Bonds3

About methyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate

methyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate (PubChem CID 2764230) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate
PubChem CID2764230
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Namemethyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1C
InChIInChI=1S/C16H15NO5/c1-9-4-6-11(7-5-9)14(18)17-13-8-12(15(19)21-3)10(2)22-16(13)20/h4-8H,1-3H3,(H,17,18)
InChIKeyBLJMKYABASEBND-UHFFFAOYSA-N
XLogP2.30
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate (CID 2764230) is methyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate is COC(=O)c1cc(NC(=O)c2ccc(C)cc2)c(=O)oc1C.
What is the InChIKey of methyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate?
The InChIKey is BLJMKYABASEBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-9-4-6-11(7-5-9)14(18)17-13-8-12(15(19)21-3)10(2)22-16(13)20/h4-8H,1-3H3,(H,17,18).
What are the key properties of methyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate?
methyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(4-methylbenzoyl)amino]-6-oxopyran-3-carboxylate is sourced from PubChem (CID 2764230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).