1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one

C9H19NO3 — CID 145348715

IUPAC1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one
SMILESCCOCCN(CCO)CC(C)=O
InChIInChI=1S/C9H19NO3/c1-3-13-7-5-10(4-6-11)8-9(2)12/h11H,3-8H2,1-2H3
InChIKeyQWYKVELOTTYAGV-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.09
Rot. Bonds8

About 1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one

1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one (PubChem CID 145348715) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one
PubChem CID145348715
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one
SMILESCCOCCN(CCO)CC(C)=O
InChIInChI=1S/C9H19NO3/c1-3-13-7-5-10(4-6-11)8-9(2)12/h11H,3-8H2,1-2H3
InChIKeyQWYKVELOTTYAGV-UHFFFAOYSA-N
XLogP-0.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-ethoxyethoxy)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethanol
CID 90352000
1-[bis(2-ethoxyethyl)amino]pentan-2-one
CID 82952185
2-[bis(2-hydroxyethyl)amino]ethanol;ethoxyethane
CID 22156510
2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
CID 146492334
1-[2-methoxyethyl(propyl)amino]propan-2-one
CID 20709816
butyl 2-[bis(2-ethoxyethyl)amino]acetate
CID 82951802
2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid
CID 20692343
1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one
CID 146611862
2-[bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 130419260
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
2-[bis(2-hydroxyethyl)amino]-N,N-dimethylacetamide
CID 60686826
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one?
The IUPAC name of 1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one (CID 145348715) is 1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one.
What is the SMILES notation for 1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one?
The canonical SMILES for 1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one is CCOCCN(CCO)CC(C)=O.
What is the InChIKey of 1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one?
The InChIKey is QWYKVELOTTYAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-13-7-5-10(4-6-11)8-9(2)12/h11H,3-8H2,1-2H3.
What are the key properties of 1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one?
1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one has a molecular weight of 189.25 g/mol, XLogP of -0.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one is sourced from PubChem (CID 145348715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).