2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate

C14H21NO4 — CID 146533433

IUPAC2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate
SMILESCCC(N)OCCOCCOC(=O)c1ccccc1
InChIInChI=1S/C14H21NO4/c1-2-13(15)18-10-8-17-9-11-19-14(16)12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3
InChIKeyNAZUUZOFRKUYGB-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.57
Rot. Bonds9

About 2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate

2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate (PubChem CID 146533433) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate.

Molecular Properties

Compound Name2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate
PubChem CID146533433
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate
SMILESCCC(N)OCCOCCOC(=O)c1ccccc1
InChIInChI=1S/C14H21NO4/c1-2-13(15)18-10-8-17-9-11-19-14(16)12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3
InChIKeyNAZUUZOFRKUYGB-UHFFFAOYSA-N
XLogP1.57
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.57
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

4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-[2-(2-hexan-2-yloxyethoxy)ethoxy]ethyl benzoate
CID 175732668
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063
2-(3-methylbutoxy)ethyl benzoate
CID 140608731
1-aminopropyl benzoate;copper
CID 70588917
2-nonoxyethyl benzoate
CID 140608587
2-(aminomethoxy)ethyl benzoate
CID 89228347
2-[2-(propylamino)ethoxy]ethyl benzoate
CID 82532615
2-benzoyloxyethyl benzoate;ethene
CID 67969171
azane;2-methoxyethyl benzoate
CID 174560204
2-[2-(butylamino)ethoxy]ethyl benzoate
CID 82532254
(111C)butyl benzoate
CID 11994383

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate?
The IUPAC name of 2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate (CID 146533433) is 2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate.
What is the SMILES notation for 2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate?
The canonical SMILES for 2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate is CCC(N)OCCOCCOC(=O)c1ccccc1.
What is the InChIKey of 2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate?
The InChIKey is NAZUUZOFRKUYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-13(15)18-10-8-17-9-11-19-14(16)12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3.
What are the key properties of 2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate?
2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate has a molecular weight of 267.32 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate is sourced from PubChem (CID 146533433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).