dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate

C22H26N2O6 — CID 58307153

IUPACdimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1cccc(Nc2cccc(OCCN3CCOCC3)c2)c1C(=O)OC
InChIInChI=1S/C22H26N2O6/c1-27-21(25)18-7-4-8-19(20(18)22(26)28-2)23-16-5-3-6-17(15-16)30-14-11-24-9-12-29-13-10-24/h3-8,15,23H,9-14H2,1-2H3
InChIKeyITECIRMFZYCFRG-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.71
Rot. Bonds8

About dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate

dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate (PubChem CID 58307153) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate
PubChem CID58307153
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Namedimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1cccc(Nc2cccc(OCCN3CCOCC3)c2)c1C(=O)OC
InChIInChI=1S/C22H26N2O6/c1-27-21(25)18-7-4-8-19(20(18)22(26)28-2)23-16-5-3-6-17(15-16)30-14-11-24-9-12-29-13-10-24/h3-8,15,23H,9-14H2,1-2H3
InChIKeyITECIRMFZYCFRG-UHFFFAOYSA-N
XLogP2.71
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 68628677
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
2-(2-morpholin-4-ylethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 87448150
3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
CID 25015202
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
methyl 2-methyl-6-[4-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylate
CID 142414768
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate (CID 58307153) is dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate is COC(=O)c1cccc(Nc2cccc(OCCN3CCOCC3)c2)c1C(=O)OC.
What is the InChIKey of dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate?
The InChIKey is ITECIRMFZYCFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-27-21(25)18-7-4-8-19(20(18)22(26)28-2)23-16-5-3-6-17(15-16)30-14-11-24-9-12-29-13-10-24/h3-8,15,23H,9-14H2,1-2H3.
What are the key properties of dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate?
dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate has a molecular weight of 414.46 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate is sourced from PubChem (CID 58307153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).