2-morpholin-4-ylethyl 3,5-dimethoxybenzoate

C15H21NO5 — CID 50896866

IUPAC2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCCN2CCOCC2)c1
InChIInChI=1S/C15H21NO5/c1-18-13-9-12(10-14(11-13)19-2)15(17)21-8-5-16-3-6-20-7-4-16/h9-11H,3-8H2,1-2H3
InChIKeyNCRSTLPTMCGJDM-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.19
Rot. Bonds6

About 2-morpholin-4-ylethyl 3,5-dimethoxybenzoate

2-morpholin-4-ylethyl 3,5-dimethoxybenzoate (PubChem CID 50896866) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
PubChem CID50896866
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCCN2CCOCC2)c1
InChIInChI=1S/C15H21NO5/c1-18-13-9-12(10-14(11-13)19-2)15(17)21-8-5-16-3-6-20-7-4-16/h9-11H,3-8H2,1-2H3
InChIKeyNCRSTLPTMCGJDM-UHFFFAOYSA-N
XLogP1.19
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
2-morpholin-4-ylethyl 2-(3-methoxyphenoxy)acetate;hydrochloride
CID 23620383
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
ethyl 3-methoxy-5-morpholin-4-ylbenzoate
CID 69175826
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
[3-methoxy-5-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 123642977
3-morpholin-4-ylpropyl 3,4,5-trihydroxybenzoate
CID 66554680
3,5-dimethoxy-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 110285157
3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 81090153

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 3,5-dimethoxybenzoate?
The IUPAC name of 2-morpholin-4-ylethyl 3,5-dimethoxybenzoate (CID 50896866) is 2-morpholin-4-ylethyl 3,5-dimethoxybenzoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 3,5-dimethoxybenzoate?
The canonical SMILES for 2-morpholin-4-ylethyl 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCCN2CCOCC2)c1.
What is the InChIKey of 2-morpholin-4-ylethyl 3,5-dimethoxybenzoate?
The InChIKey is NCRSTLPTMCGJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-18-13-9-12(10-14(11-13)19-2)15(17)21-8-5-16-3-6-20-7-4-16/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-morpholin-4-ylethyl 3,5-dimethoxybenzoate?
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate has a molecular weight of 295.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 3,5-dimethoxybenzoate is sourced from PubChem (CID 50896866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).