oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate

C15H21NO3 — CID 104548522

IUPACoxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate
SMILESCNCCc1ccccc1C(=O)OCC1CCCO1
InChIInChI=1S/C15H21NO3/c1-16-9-8-12-5-2-3-7-14(12)15(17)19-11-13-6-4-10-18-13/h2-3,5,7,13,16H,4,6,8-11H2,1H3
InChIKeyDRCNHLOWKZKTFU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.78
Rot. Bonds6

About oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate

oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate (PubChem CID 104548522) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate
PubChem CID104548522
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameoxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate
SMILESCNCCc1ccccc1C(=O)OCC1CCCO1
InChIInChI=1S/C15H21NO3/c1-16-9-8-12-5-2-3-7-14(12)15(17)19-11-13-6-4-10-18-13/h2-3,5,7,13,16H,4,6,8-11H2,1H3
InChIKeyDRCNHLOWKZKTFU-UHFFFAOYSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylamino)ethyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 104547635
2-O-(oxolan-2-ylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6421085
[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
[(2R)-oxolan-2-yl]methyl 2-benzamidobenzoate
CID 40820524
2-O-(oxolan-2-ylmethyl) 1-O-tetradecyl benzene-1,2-dicarboxylate
CID 6421095
1-O-nonyl 2-O-(oxolan-2-ylmethyl) benzene-1,2-dicarboxylate
CID 6421096
oxolan-2-ylmethyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 51075280
oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 16605574
2-[2-(oxan-2-ylmethylamino)ethyl]benzoic acid
CID 113425613
2-methylpropyl 2-[2-(methylamino)ethyl]benzoate
CID 104548518
2-[2-[3-(oxolan-2-yl)propylamino]ethyl]benzoic acid
CID 104546797
[(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
CID 97007291

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate?
The IUPAC name of oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate (CID 104548522) is oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate.
What is the SMILES notation for oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate?
The canonical SMILES for oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate is CNCCc1ccccc1C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate?
The InChIKey is DRCNHLOWKZKTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16-9-8-12-5-2-3-7-14(12)15(17)19-11-13-6-4-10-18-13/h2-3,5,7,13,16H,4,6,8-11H2,1H3.
What are the key properties of oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate?
oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate has a molecular weight of 263.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate is sourced from PubChem (CID 104548522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).