2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate

C13H26N2O4 — CID 158153026

IUPAC2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate
SMILESCCN(CCOC)CCOC(=O)CCCNC(C)=O
InChIInChI=1S/C13H26N2O4/c1-4-15(8-10-18-3)9-11-19-13(17)6-5-7-14-12(2)16/h4-11H2,1-3H3,(H,14,16)
InChIKeyGKOWRNKRTFPAAZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.41
Rot. Bonds11

About 2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate

2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate (PubChem CID 158153026) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate.

Molecular Properties

Compound Name2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate
PubChem CID158153026
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate
SMILESCCN(CCOC)CCOC(=O)CCCNC(C)=O
InChIInChI=1S/C13H26N2O4/c1-4-15(8-10-18-3)9-11-19-13(17)6-5-7-14-12(2)16/h4-11H2,1-3H3,(H,14,16)
InChIKeyGKOWRNKRTFPAAZ-UHFFFAOYSA-N
XLogP0.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[ethyl(2-methoxyethyl)amino]propyl]acetamide
CID 89358934
3-[ethyl(2-methoxyethyl)amino]propylurea
CID 89337581
2-(diethylamino)ethyl pentanoate
CID 14795466
4-[ethyl(2-methoxyethyl)amino]butanehydrazide
CID 63584044
3-dimethoxyphosphorylpropyl 4-acetamidobutanoate
CID 3076695
dodecyl 6-acetamidohexanoate
CID 21259378
nonyl 8-[3-acetamidopropyl(methyl)amino]octanoate
CID 129232943
2-[2-acetamidoethyl(ethyl)amino]ethyl hydrogen sulfate
CID 167111786
2-[ethyl(2-methoxyethyl)amino]ethyl 2-methylpropanoate
CID 89149379
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate
CID 23544922
2-[3-(diethylamino)propyl-(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
CID 87792051

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate?
The IUPAC name of 2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate (CID 158153026) is 2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate.
What is the SMILES notation for 2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate?
The canonical SMILES for 2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate is CCN(CCOC)CCOC(=O)CCCNC(C)=O.
What is the InChIKey of 2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate?
The InChIKey is GKOWRNKRTFPAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-4-15(8-10-18-3)9-11-19-13(17)6-5-7-14-12(2)16/h4-11H2,1-3H3,(H,14,16).
What are the key properties of 2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate?
2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate has a molecular weight of 274.36 g/mol, XLogP of 0.41, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate is sourced from PubChem (CID 158153026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).