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

C16H15NO5 — CID 110699348

IUPACmethyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c(C)cc(=O)oc2C)cc1
InChIInChI=1S/C16H15NO5/c1-9-8-13(18)22-10(2)14(9)15(19)17-12-6-4-11(5-7-12)16(20)21-3/h4-8H,1-3H3,(H,17,19)
InChIKeyJEHGAUYCLVCSOF-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.30
Rot. Bonds3

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

methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate (PubChem CID 110699348) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate
PubChem CID110699348
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Namemethyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c(C)cc(=O)oc2C)cc1
InChIInChI=1S/C16H15NO5/c1-9-8-13(18)22-10(2)14(9)15(19)17-12-6-4-11(5-7-12)16(20)21-3/h4-8H,1-3H3,(H,17,19)
InChIKeyJEHGAUYCLVCSOF-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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Related Compounds

methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate
CID 26720131
N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 965047
N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 110699384
[2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 24533770
N-(2,4-dimethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 660643
methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822079
methyl 4-[(3,5-dibromo-2,6-dihydroxybenzoyl)amino]benzoate
CID 10160753
methyl 4-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 5080605
methyl 4-[[2,4,6-trifluoro-3,5-bis(trimethylsilyl)benzoyl]amino]benzoate
CID 132529149
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate
CID 176550811
methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate
CID 82344340

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate (CID 110699348) is methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2c(C)cc(=O)oc2C)cc1.
What is the InChIKey of methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate?
The InChIKey is JEHGAUYCLVCSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-9-8-13(18)22-10(2)14(9)15(19)17-12-6-4-11(5-7-12)16(20)21-3/h4-8H,1-3H3,(H,17,19).
What are the key properties of methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate?
methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate 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 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110699348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).