1-methoxyethyl 4-(2-methoxyethylamino)benzoate

C13H19NO4 — CID 66963212

IUPAC1-methoxyethyl 4-(2-methoxyethylamino)benzoate
SMILESCOCCNc1ccc(C(=O)OC(C)OC)cc1
InChIInChI=1S/C13H19NO4/c1-10(17-3)18-13(15)11-4-6-12(7-5-11)14-8-9-16-2/h4-7,10,14H,8-9H2,1-3H3
InChIKeyICOBBBBPDWBPCF-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.89
Rot. Bonds7

About 1-methoxyethyl 4-(2-methoxyethylamino)benzoate

1-methoxyethyl 4-(2-methoxyethylamino)benzoate (PubChem CID 66963212) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-methoxyethyl 4-(2-methoxyethylamino)benzoate.

Molecular Properties

Compound Name1-methoxyethyl 4-(2-methoxyethylamino)benzoate
PubChem CID66963212
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name1-methoxyethyl 4-(2-methoxyethylamino)benzoate
SMILESCOCCNc1ccc(C(=O)OC(C)OC)cc1
InChIInChI=1S/C13H19NO4/c1-10(17-3)18-13(15)11-4-6-12(7-5-11)14-8-9-16-2/h4-7,10,14H,8-9H2,1-3H3
InChIKeyICOBBBBPDWBPCF-UHFFFAOYSA-N
XLogP1.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973
propan-2-yl 4-(butylamino)benzoate
CID 43228867
[4-(iodomethyl)phenyl]-[4-(2-methoxyethylamino)phenyl]methanone
CID 67686661
4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide
CID 112980909
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]benzamide
CID 104561439
N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
CID 112980946
methyl 4-(2-methylpropylamino)benzoate
CID 12045610
4-N-(3-amino-2-methoxypropyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 142398734
4-(4-methoxybutylamino)benzoic acid
CID 62232205
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
CID 71553925
methyl 4-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316695
1-ethoxypropan-2-yl 4-(2-hydroxyethylamino)benzoate
CID 103489106

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl 4-(2-methoxyethylamino)benzoate?
The IUPAC name of 1-methoxyethyl 4-(2-methoxyethylamino)benzoate (CID 66963212) is 1-methoxyethyl 4-(2-methoxyethylamino)benzoate.
What is the SMILES notation for 1-methoxyethyl 4-(2-methoxyethylamino)benzoate?
The canonical SMILES for 1-methoxyethyl 4-(2-methoxyethylamino)benzoate is COCCNc1ccc(C(=O)OC(C)OC)cc1.
What is the InChIKey of 1-methoxyethyl 4-(2-methoxyethylamino)benzoate?
The InChIKey is ICOBBBBPDWBPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10(17-3)18-13(15)11-4-6-12(7-5-11)14-8-9-16-2/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 1-methoxyethyl 4-(2-methoxyethylamino)benzoate?
1-methoxyethyl 4-(2-methoxyethylamino)benzoate has a molecular weight of 253.30 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl 4-(2-methoxyethylamino)benzoate is sourced from PubChem (CID 66963212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).