ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate

C18H28N2O6 — CID 11079114

IUPACethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate
SMILESCCOC(=O)c1cc(OCCN2CCOCC2)c(OCCOC)cc1N
InChIInChI=1S/C18H28N2O6/c1-3-24-18(21)14-12-16(17(13-15(14)19)26-11-10-22-2)25-9-6-20-4-7-23-8-5-20/h12-13H,3-11,19H2,1-2H3
InChIKeyGGIOZCNHEPFZBS-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.18
Rot. Bonds10

About ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate

ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate (PubChem CID 11079114) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate
PubChem CID11079114
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Nameethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate
SMILESCCOC(=O)c1cc(OCCN2CCOCC2)c(OCCOC)cc1N
InChIInChI=1S/C18H28N2O6/c1-3-24-18(21)14-12-16(17(13-15(14)19)26-11-10-22-2)25-9-6-20-4-7-23-8-5-20/h12-13H,3-11,19H2,1-2H3
InChIKeyGGIOZCNHEPFZBS-UHFFFAOYSA-N
XLogP1.18
TPSA92.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
CID 143274795
ethyl 2-amino-4-fluoro-5-(3-morpholin-4-ylpropoxy)benzoate
CID 59198226
2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate
CID 102706152
1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
CID 82064195
ethyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate
CID 23033019
ethyl 2-amino-5-methoxy-4-[2-(tetrazol-2-yl)ethoxy]benzoate
CID 11748809
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 69299982
2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride
CID 138398636
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate?
The IUPAC name of ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate (CID 11079114) is ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate.
What is the SMILES notation for ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate?
The canonical SMILES for ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate is CCOC(=O)c1cc(OCCN2CCOCC2)c(OCCOC)cc1N.
What is the InChIKey of ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate?
The InChIKey is GGIOZCNHEPFZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O6/c1-3-24-18(21)14-12-16(17(13-15(14)19)26-11-10-22-2)25-9-6-20-4-7-23-8-5-20/h12-13H,3-11,19H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate?
ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate has a molecular weight of 368.43 g/mol, XLogP of 1.18, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate is sourced from PubChem (CID 11079114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).