4-[2-(2-formyloxyethylamino)ethoxy]butyl formate

C10H19NO5 — CID 157120336

IUPAC4-[2-(2-formyloxyethylamino)ethoxy]butyl formate
SMILESO=COCCCCOCCNCCOC=O
InChIInChI=1S/C10H19NO5/c12-9-15-6-2-1-5-14-7-3-11-4-8-16-10-13/h9-11H,1-8H2
InChIKeyAHWWPLBWSSWNDN-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.28
Rot. Bonds13

About 4-[2-(2-formyloxyethylamino)ethoxy]butyl formate

4-[2-(2-formyloxyethylamino)ethoxy]butyl formate (PubChem CID 157120336) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-[2-(2-formyloxyethylamino)ethoxy]butyl formate.

Molecular Properties

Compound Name4-[2-(2-formyloxyethylamino)ethoxy]butyl formate
PubChem CID157120336
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name4-[2-(2-formyloxyethylamino)ethoxy]butyl formate
SMILESO=COCCCCOCCNCCOC=O
InChIInChI=1S/C10H19NO5/c12-9-15-6-2-1-5-14-7-3-11-4-8-16-10-13/h9-11H,1-8H2
InChIKeyAHWWPLBWSSWNDN-UHFFFAOYSA-N
XLogP-0.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-(2-formyloxyethoxy)ethoxy]propylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128331
13-(2-methoxyethoxy)tridecyl formate
CID 87852732
2-(5-hydroxypentylamino)ethyl formate
CID 138728311
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
3-(butylamino)propyl formate
CID 87316464
4-aminobutyl formate
CID 54484676
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
hexacosyl formate
CID 87446465
6-(5-phenylpentoxy)hexyl formate
CID 87852728

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-formyloxyethylamino)ethoxy]butyl formate?
The IUPAC name of 4-[2-(2-formyloxyethylamino)ethoxy]butyl formate (CID 157120336) is 4-[2-(2-formyloxyethylamino)ethoxy]butyl formate.
What is the SMILES notation for 4-[2-(2-formyloxyethylamino)ethoxy]butyl formate?
The canonical SMILES for 4-[2-(2-formyloxyethylamino)ethoxy]butyl formate is O=COCCCCOCCNCCOC=O.
What is the InChIKey of 4-[2-(2-formyloxyethylamino)ethoxy]butyl formate?
The InChIKey is AHWWPLBWSSWNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c12-9-15-6-2-1-5-14-7-3-11-4-8-16-10-13/h9-11H,1-8H2.
What are the key properties of 4-[2-(2-formyloxyethylamino)ethoxy]butyl formate?
4-[2-(2-formyloxyethylamino)ethoxy]butyl formate has a molecular weight of 233.26 g/mol, XLogP of -0.28, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-formyloxyethylamino)ethoxy]butyl formate is sourced from PubChem (CID 157120336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).