methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate

C15H23NO4 — CID 82969793

IUPACmethyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate
SMILESCOCCN(CCOC)Cc1ccccc1C(=O)OC
InChIInChI=1S/C15H23NO4/c1-18-10-8-16(9-11-19-2)12-13-6-4-5-7-14(13)15(17)20-3/h4-7H,8-12H2,1-3H3
InChIKeyYKPHXWBBDQANQG-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.57
Rot. Bonds9

About methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate

methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate (PubChem CID 82969793) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate
PubChem CID82969793
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate
SMILESCOCCN(CCOC)Cc1ccccc1C(=O)OC
InChIInChI=1S/C15H23NO4/c1-18-10-8-16(9-11-19-2)12-13-6-4-5-7-14(13)15(17)20-3/h4-7H,8-12H2,1-3H3
InChIKeyYKPHXWBBDQANQG-UHFFFAOYSA-N
XLogP1.57
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate
CID 82969097
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
methyl 2-[[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate
CID 7411908
methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate
CID 82968950
methyl 2-[[3-methoxypropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzoate
CID 7287502
3-[(2-cyanophenyl)methyl-(2-methoxyethyl)amino]propanoic acid
CID 82327928
2-[[2-methoxyethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 46988014
methyl 3-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-methoxyethyl)amino]propanoate
CID 107113550
2-[2-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]acetohydrazide
CID 115465453
methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate
CID 82969182
methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate
CID 24715033

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate?
The IUPAC name of methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate (CID 82969793) is methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate is COCCN(CCOC)Cc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate?
The InChIKey is YKPHXWBBDQANQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-10-8-16(9-11-19-2)12-13-6-4-5-7-14(13)15(17)20-3/h4-7H,8-12H2,1-3H3.
What are the key properties of methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate?
methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate has a molecular weight of 281.35 g/mol, XLogP of 1.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate is sourced from PubChem (CID 82969793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).