methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate

C14H17NO4 — CID 61278907

IUPACmethyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)C1CCOC1
InChIInChI=1S/C14H17NO4/c1-9-3-4-12(11(7-9)14(17)18-2)15-13(16)10-5-6-19-8-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyCIQPWBGAEWTUQX-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.76
Rot. Bonds3

About methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate

methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate (PubChem CID 61278907) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate
PubChem CID61278907
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)C1CCOC1
InChIInChI=1S/C14H17NO4/c1-9-3-4-12(11(7-9)14(17)18-2)15-13(16)10-5-6-19-8-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyCIQPWBGAEWTUQX-UHFFFAOYSA-N
XLogP1.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate
CID 143625975
methyl 2-(cyclopent-3-ene-1-carbonylamino)-5-methylbenzoate
CID 64767203
5-methyl-2-(oxane-3-carbonylamino)benzoic acid
CID 62761030
methyl 5-methyl-2-(pyrrolidine-3-carbonylamino)benzoate
CID 55149872
methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 60921850
methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate
CID 66240421
methyl 2-(oxane-3-carbonylamino)benzoate
CID 55109995
methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate
CID 62047918
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate
CID 79151802
N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
CID 47494478
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate?
The IUPAC name of methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate (CID 61278907) is methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate.
What is the SMILES notation for methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate?
The canonical SMILES for methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate is COC(=O)c1cc(C)ccc1NC(=O)C1CCOC1.
What is the InChIKey of methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate?
The InChIKey is CIQPWBGAEWTUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-3-4-12(11(7-9)14(17)18-2)15-13(16)10-5-6-19-8-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate?
methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate has a molecular weight of 263.29 g/mol, XLogP of 1.76, 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-(oxolane-3-carbonylamino)benzoate is sourced from PubChem (CID 61278907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).