methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate

C19H23NO4 — CID 19245362

IUPACmethyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C12CC3CCC1(C)C3(C)CO2
InChIInChI=1S/C19H23NO4/c1-17-11-24-19(10-12(17)8-9-18(17,19)2)16(22)20-14-7-5-4-6-13(14)15(21)23-3/h4-7,12H,8-11H2,1-3H3,(H,20,22)
InChIKeyIYOOAIKVMOLICZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.01
Rot. Bonds3

About methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate

methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate (PubChem CID 19245362) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate
PubChem CID19245362
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namemethyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C12CC3CCC1(C)C3(C)CO2
InChIInChI=1S/C19H23NO4/c1-17-11-24-19(10-12(17)8-9-18(17,19)2)16(22)20-14-7-5-4-6-13(14)15(21)23-3/h4-7,12H,8-11H2,1-3H3,(H,20,22)
InChIKeyIYOOAIKVMOLICZ-UHFFFAOYSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 3151888
methyl 2-[[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]amino]benzoate
CID 50903596
methyl 2-[[(1R,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]amino]benzoate
CID 906543
methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate
CID 63121892
methyl 2-[[(1S,4R)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carbonyl]amino]benzoate
CID 50938495
methyl 2-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
CID 2920895
methyl 2-[(5,5-dimethyl-2-prop-1-en-2-ylcyclohexanecarbonyl)amino]benzoate
CID 122582517
methyl 2-[(2,2-dimethylcyclopentyl)amino]benzoate
CID 79864939
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 110424094
methyl 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]benzoate
CID 122582383
methyl 2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
CID 79916587

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate (CID 19245362) is methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)C12CC3CCC1(C)C3(C)CO2.
What is the InChIKey of methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate?
The InChIKey is IYOOAIKVMOLICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-17-11-24-19(10-12(17)8-9-18(17,19)2)16(22)20-14-7-5-4-6-13(14)15(21)23-3/h4-7,12H,8-11H2,1-3H3,(H,20,22).
What are the key properties of methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate?
methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate has a molecular weight of 329.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate is sourced from PubChem (CID 19245362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).