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

C16H23NO3 — CID 82969495

IUPACmethyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
SMILESCCN(Cc1ccccc1C(=O)OC)CC1CCCO1
InChIInChI=1S/C16H23NO3/c1-3-17(12-14-8-6-10-20-14)11-13-7-4-5-9-15(13)16(18)19-2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3
InChIKeyVGEGTHDVXCRSAU-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds6

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

methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate (PubChem CID 82969495) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
PubChem CID82969495
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
SMILESCCN(Cc1ccccc1C(=O)OC)CC1CCCO1
InChIInChI=1S/C16H23NO3/c1-3-17(12-14-8-6-10-20-14)11-13-7-4-5-9-15(13)16(18)19-2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3
InChIKeyVGEGTHDVXCRSAU-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
CID 102920398
2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82981600
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458511
1-[2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 61434391
methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate
CID 95333409
methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate
CID 82968950
methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate
CID 82968974
methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate
CID 65166161
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
CID 107208296
3-[[ethyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]-1H-pyridin-2-one
CID 29105671

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate?
The IUPAC name of methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate (CID 82969495) is methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate is CCN(Cc1ccccc1C(=O)OC)CC1CCCO1.
What is the InChIKey of methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate?
The InChIKey is VGEGTHDVXCRSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-17(12-14-8-6-10-20-14)11-13-7-4-5-9-15(13)16(18)19-2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3.
What are the key properties of methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate?
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate has a molecular weight of 277.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate is sourced from PubChem (CID 82969495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).