methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate

C17H25NO3 — CID 79907438

IUPACmethyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H25NO3/c1-11-7-8-13(12(9-11)15(19)20-6)18-14-10-16(2,3)21-17(14,4)5/h7-9,14,18H,10H2,1-6H3
InChIKeyFOIYKFYXYGRQJS-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.54
Rot. Bonds3

About methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate

methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate (PubChem CID 79907438) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
PubChem CID79907438
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H25NO3/c1-11-7-8-13(12(9-11)15(19)20-6)18-14-10-16(2,3)21-17(14,4)5/h7-9,14,18H,10H2,1-6H3
InChIKeyFOIYKFYXYGRQJS-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate?
The IUPAC name of methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate (CID 79907438) is methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate.
What is the SMILES notation for methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate?
The canonical SMILES for methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate is COC(=O)c1cc(C)ccc1NC1CC(C)(C)OC1(C)C.
What is the InChIKey of methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate?
The InChIKey is FOIYKFYXYGRQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11-7-8-13(12(9-11)15(19)20-6)18-14-10-16(2,3)21-17(14,4)5/h7-9,14,18H,10H2,1-6H3.
What are the key properties of methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate?
methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate has a molecular weight of 291.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzoate is sourced from PubChem (CID 79907438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).