2-methoxyethyl 4-(2-methoxyethylamino)benzoate

C13H19NO4 — CID 66962973

IUPAC2-methoxyethyl 4-(2-methoxyethylamino)benzoate
SMILESCOCCNc1ccc(C(=O)OCCOC)cc1
InChIInChI=1S/C13H19NO4/c1-16-8-7-14-12-5-3-11(4-6-12)13(15)18-10-9-17-2/h3-6,14H,7-10H2,1-2H3
InChIKeyYFYDOGAZQTZCPY-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.55
Rot. Bonds8

About 2-methoxyethyl 4-(2-methoxyethylamino)benzoate

2-methoxyethyl 4-(2-methoxyethylamino)benzoate (PubChem CID 66962973) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methoxyethyl 4-(2-methoxyethylamino)benzoate.

Molecular Properties

Compound Name2-methoxyethyl 4-(2-methoxyethylamino)benzoate
PubChem CID66962973
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-methoxyethyl 4-(2-methoxyethylamino)benzoate
SMILESCOCCNc1ccc(C(=O)OCCOC)cc1
InChIInChI=1S/C13H19NO4/c1-16-8-7-14-12-5-3-11(4-6-12)13(15)18-10-9-17-2/h3-6,14H,7-10H2,1-2H3
InChIKeyYFYDOGAZQTZCPY-UHFFFAOYSA-N
XLogP1.55
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
CID 71553925
1-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66963212
2-methoxyethyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19169299
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]benzamide
CID 104561439
propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate
CID 82316616
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[4-(methylamino)benzoyl]benzoate
CID 58616778
[4-(iodomethyl)phenyl]-[4-(2-methoxyethylamino)phenyl]methanone
CID 67686661
4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide
CID 112980909
(3-methoxy-3-methylbutyl) 4-(2-hydroxyethylamino)benzoate
CID 102979001
propyl 4-[[2-[4-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54812704
1-O-(2-anilinoethyl) 4-O-(2-phenoxyethyl) benzene-1,4-dicarboxylate
CID 163743019

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-(2-methoxyethylamino)benzoate?
The IUPAC name of 2-methoxyethyl 4-(2-methoxyethylamino)benzoate (CID 66962973) is 2-methoxyethyl 4-(2-methoxyethylamino)benzoate.
What is the SMILES notation for 2-methoxyethyl 4-(2-methoxyethylamino)benzoate?
The canonical SMILES for 2-methoxyethyl 4-(2-methoxyethylamino)benzoate is COCCNc1ccc(C(=O)OCCOC)cc1.
What is the InChIKey of 2-methoxyethyl 4-(2-methoxyethylamino)benzoate?
The InChIKey is YFYDOGAZQTZCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-16-8-7-14-12-5-3-11(4-6-12)13(15)18-10-9-17-2/h3-6,14H,7-10H2,1-2H3.
What are the key properties of 2-methoxyethyl 4-(2-methoxyethylamino)benzoate?
2-methoxyethyl 4-(2-methoxyethylamino)benzoate has a molecular weight of 253.30 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-(2-methoxyethylamino)benzoate is sourced from PubChem (CID 66962973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).