2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate

C20H33NO6 — CID 71553925

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
SMILESCCCCNc1ccc(C(=O)OCCOCCOCCOCCOC)cc1
InChIInChI=1S/C20H33NO6/c1-3-4-9-21-19-7-5-18(6-8-19)20(22)27-17-16-26-15-14-25-13-12-24-11-10-23-2/h5-8,21H,3-4,9-17H2,1-2H3
InChIKeyQYJKOPDSGAOTDA-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.75
Rot. Bonds17

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate (PubChem CID 71553925) has the molecular formula C20H33NO6 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
PubChem CID71553925
Molecular FormulaC20H33NO6
Molecular Weight383.49 g/mol
Exact Mass383.23
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
SMILESCCCCNc1ccc(C(=O)OCCOCCOCCOCCOC)cc1
InChIInChI=1S/C20H33NO6/c1-3-4-9-21-19-7-5-18(6-8-19)20(22)27-17-16-26-15-14-25-13-12-24-11-10-23-2/h5-8,21H,3-4,9-17H2,1-2H3
InChIKeyQYJKOPDSGAOTDA-UHFFFAOYSA-N
XLogP2.75
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973
2-(methylamino)ethyl 4-(butylamino)benzoate
CID 129194596
2-[4-(butylamino)benzoyl]oxyethyl-dimethyl-pentylazanium
CID 10472091
4-hydroxybutyl 4-(hexadecylamino)benzoate
CID 13019378
methane;1-O-methyl 4-O-(2-propoxyethyl) benzene-1,4-dicarboxylate
CID 157160392
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[4-(methylamino)benzoyl]benzoate
CID 58616778
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
2-propoxyethyl 4-(methylamino)benzoate
CID 104698977
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]benzamide
CID 104561439
(3-ethoxy-3-oxopropyl) 4-(hexadecylamino)benzoate
CID 23457838
propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate
CID 82316616
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate (CID 71553925) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate is CCCCNc1ccc(C(=O)OCCOCCOCCOCCOC)cc1.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate?
The InChIKey is QYJKOPDSGAOTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO6/c1-3-4-9-21-19-7-5-18(6-8-19)20(22)27-17-16-26-15-14-25-13-12-24-11-10-23-2/h5-8,21H,3-4,9-17H2,1-2H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate has a molecular weight of 383.49 g/mol, XLogP of 2.75, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate is sourced from PubChem (CID 71553925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).