[2-ethoxyethyl(ethyl)amino] acetate

C8H17NO3 — CID 175476024

IUPAC[2-ethoxyethyl(ethyl)amino] acetate
SMILESCCOCCN(CC)OC(C)=O
InChIInChI=1S/C8H17NO3/c1-4-9(12-8(3)10)6-7-11-5-2/h4-7H2,1-3H3
InChIKeyLYQITIQQCQZJJU-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.82
Rot. Bonds6

About [2-ethoxyethyl(ethyl)amino] acetate

[2-ethoxyethyl(ethyl)amino] acetate (PubChem CID 175476024) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is [2-ethoxyethyl(ethyl)amino] acetate.

Molecular Properties

Compound Name[2-ethoxyethyl(ethyl)amino] acetate
PubChem CID175476024
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name[2-ethoxyethyl(ethyl)amino] acetate
SMILESCCOCCN(CC)OC(C)=O
InChIInChI=1S/C8H17NO3/c1-4-9(12-8(3)10)6-7-11-5-2/h4-7H2,1-3H3
InChIKeyLYQITIQQCQZJJU-UHFFFAOYSA-N
XLogP0.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-ethoxypropanoyl(methyl)amino] acetate
CID 130369820
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
N-(2-ethoxyethoxy)-N-ethylethanamine
CID 159214459
4-[2-ethoxyethyl(ethyl)amino]pentan-2-one
CID 64696903
2-[2-acetyloxyethyl-[2-[2-(ethoxymethoxy)ethoxy]ethyl]amino]ethyl acetate
CID 150794446
1-(2-ethoxyethyl)-3,3-diethyl-1-methylurea
CID 115887200
4-[2-ethoxyethyl(ethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77017357
3-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057001
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
2-[2-ethoxyethyl(ethyl)amino]ethyl 2-methylprop-2-enoate
CID 88906932
N-(2-ethoxyethyl)-N-ethyl-2-(methylamino)acetamide
CID 63691454
4-[bis(2-ethoxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 82965179

Frequently Asked Questions

What is the IUPAC name of [2-ethoxyethyl(ethyl)amino] acetate?
The IUPAC name of [2-ethoxyethyl(ethyl)amino] acetate (CID 175476024) is [2-ethoxyethyl(ethyl)amino] acetate.
What is the SMILES notation for [2-ethoxyethyl(ethyl)amino] acetate?
The canonical SMILES for [2-ethoxyethyl(ethyl)amino] acetate is CCOCCN(CC)OC(C)=O.
What is the InChIKey of [2-ethoxyethyl(ethyl)amino] acetate?
The InChIKey is LYQITIQQCQZJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-9(12-8(3)10)6-7-11-5-2/h4-7H2,1-3H3.
What are the key properties of [2-ethoxyethyl(ethyl)amino] acetate?
[2-ethoxyethyl(ethyl)amino] acetate has a molecular weight of 175.23 g/mol, XLogP of 0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxyethyl(ethyl)amino] acetate is sourced from PubChem (CID 175476024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).