methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate

C16H23NO3 — CID 82969020

IUPACmethyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
SMILESCCC1COC(C)CN1Cc1ccccc1C(=O)OC
InChIInChI=1S/C16H23NO3/c1-4-14-11-20-12(2)9-17(14)10-13-7-5-6-8-15(13)16(18)19-3/h5-8,12,14H,4,9-11H2,1-3H3
InChIKeyUYXSQHAEHXLBOH-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds4

About methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate

methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate (PubChem CID 82969020) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
PubChem CID82969020
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
SMILESCCC1COC(C)CN1Cc1ccccc1C(=O)OC
InChIInChI=1S/C16H23NO3/c1-4-14-11-20-12(2)9-17(14)10-13-7-5-6-8-15(13)16(18)19-3/h5-8,12,14H,4,9-11H2,1-3H3
InChIKeyUYXSQHAEHXLBOH-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
CID 104824362
methyl 2-[(2-ethylpyrrolidin-1-yl)methyl]benzoate
CID 82969492
3-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]prop-2-enoic acid
CID 76909172
methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate
CID 75088546
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-6-fluorophenol
CID 112616028
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82974433
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 63578733
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 107907776
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 55075141
3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]pyridine-2-carbothioamide
CID 62893281
3-chloro-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoic acid
CID 102669918
2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline
CID 107274350

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate?
The IUPAC name of methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate (CID 82969020) is methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate?
The canonical SMILES for methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate is CCC1COC(C)CN1Cc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate?
The InChIKey is UYXSQHAEHXLBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-14-11-20-12(2)9-17(14)10-13-7-5-6-8-15(13)16(18)19-3/h5-8,12,14H,4,9-11H2,1-3H3.
What are the key properties of methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate?
methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate has a molecular weight of 277.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate is sourced from PubChem (CID 82969020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).