methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate

C15H21NO3 — CID 65166161

IUPACmethyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)CCC1CCCO1
InChIInChI=1S/C15H21NO3/c1-16(10-9-12-6-5-11-19-12)14-8-4-3-7-13(14)15(17)18-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyHRHBXJKWABDXEV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.48
Rot. Bonds5

About methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate

methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate (PubChem CID 65166161) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate
PubChem CID65166161
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)CCC1CCCO1
InChIInChI=1S/C15H21NO3/c1-16(10-9-12-6-5-11-19-12)14-8-4-3-7-13(14)15(17)18-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyHRHBXJKWABDXEV-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(oxolan-2-yl)ethylsulfonyl]benzoate
CID 167992070
methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
CID 102920398
3-[2-methyl-N-[2-(oxolan-2-yl)ethyl]anilino]propanoic acid
CID 65162196
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
methyl 2-[2-cyanoethyl(methyl)amino]benzoate
CID 60694305
methyl 2-[methyl(2-methylsulfonylethyl)amino]benzoate
CID 62027116
methyl 2-[methyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoate
CID 62626101
N-[2-(1,3-dioxan-2-yl)ethyl]-N,2-dimethylaniline
CID 66472713
methyl 2-amino-3-(oxolan-2-ylmethylsulfanyl)benzoate
CID 106495160
methyl 2-[methyl(2-oxopropyl)amino]benzoate
CID 117029506
methyl 1-oxo-2-(oxolan-2-ylmethyl)isoquinoline-4-carboxylate
CID 177224111
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate?
The IUPAC name of methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate (CID 65166161) is methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate?
The canonical SMILES for methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate is COC(=O)c1ccccc1N(C)CCC1CCCO1.
What is the InChIKey of methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate?
The InChIKey is HRHBXJKWABDXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(10-9-12-6-5-11-19-12)14-8-4-3-7-13(14)15(17)18-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3.
What are the key properties of methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate?
methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate is sourced from PubChem (CID 65166161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).