methyl 4-formamido-3,5-dimethylbenzoate

C11H13NO3 — CID 134546996

IUPACmethyl 4-formamido-3,5-dimethylbenzoate
SMILESCOC(=O)c1cc(C)c(NC=O)c(C)c1
InChIInChI=1S/C11H13NO3/c1-7-4-9(11(14)15-3)5-8(2)10(7)12-6-13/h4-6H,1-3H3,(H,12,13)
InChIKeyCUQLYWNFVONGKY-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.66
Rot. Bonds3

About methyl 4-formamido-3,5-dimethylbenzoate

methyl 4-formamido-3,5-dimethylbenzoate (PubChem CID 134546996) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 4-formamido-3,5-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 4-formamido-3,5-dimethylbenzoate
PubChem CID134546996
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 4-formamido-3,5-dimethylbenzoate
SMILESCOC(=O)c1cc(C)c(NC=O)c(C)c1
InChIInChI=1S/C11H13NO3/c1-7-4-9(11(14)15-3)5-8(2)10(7)12-6-13/h4-6H,1-3H3,(H,12,13)
InChIKeyCUQLYWNFVONGKY-UHFFFAOYSA-N
XLogP1.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(4-methoxycarbonyl-2,6-dimethylphenyl)sulfanyl-3,5-dimethylbenzoate
CID 144994456
methyl 4-fluoro-3-formyl-5-methylbenzoate
CID 164893562
methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonyl-3-methylphenyl)-5-methylbenzoate
CID 44552214
N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide
CID 124926919
dimethyl 5-formylbenzene-1,3-dicarboxylate
CID 15183982
ethane;methyl 4-chloro-3-methoxy-5-methylbenzoate
CID 145414016
methyl 3-formyloxy-5-methylbenzoate
CID 170179005
methyl 3-fluoro-5-formamido-4-methoxybenzoate
CID 168652166
methyl 4-formamido-3-hydroxybenzoate
CID 91622889
methyl 4-chloro-3-methyl-5-nitrosobenzoate
CID 131997613
methyl 3,5-dimethyl-4-nitrobenzoate
CID 22998442
methyl 3-formyl-5-methylbenzoate
CID 58369548

Frequently Asked Questions

What is the IUPAC name of methyl 4-formamido-3,5-dimethylbenzoate?
The IUPAC name of methyl 4-formamido-3,5-dimethylbenzoate (CID 134546996) is methyl 4-formamido-3,5-dimethylbenzoate.
What is the SMILES notation for methyl 4-formamido-3,5-dimethylbenzoate?
The canonical SMILES for methyl 4-formamido-3,5-dimethylbenzoate is COC(=O)c1cc(C)c(NC=O)c(C)c1.
What is the InChIKey of methyl 4-formamido-3,5-dimethylbenzoate?
The InChIKey is CUQLYWNFVONGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-4-9(11(14)15-3)5-8(2)10(7)12-6-13/h4-6H,1-3H3,(H,12,13).
What are the key properties of methyl 4-formamido-3,5-dimethylbenzoate?
methyl 4-formamido-3,5-dimethylbenzoate has a molecular weight of 207.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-formamido-3,5-dimethylbenzoate is sourced from PubChem (CID 134546996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).