2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate

C33H65NO7 — CID 176758965

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCC(=O)OCCOCCOCCOCCOC
InChIInChI=1S/C33H65NO7/c1-4-6-8-10-12-14-16-18-22-34(23-19-17-15-13-11-9-7-5-2)32(35)20-21-33(36)41-31-30-40-29-28-39-27-26-38-25-24-37-3/h4-31H2,1-3H3
InChIKeyVQDOKSDKJFJEMT-UHFFFAOYSA-N
MW587.88 g/mol
LogP7.12
Rot. Bonds33

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate (PubChem CID 176758965) has the molecular formula C33H65NO7 and a molecular weight of 587.88 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate
PubChem CID176758965
Molecular FormulaC33H65NO7
Molecular Weight587.88 g/mol
Exact Mass587.48
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCC(=O)OCCOCCOCCOCCOC
InChIInChI=1S/C33H65NO7/c1-4-6-8-10-12-14-16-18-22-34(23-19-17-15-13-11-9-7-5-2)32(35)20-21-33(36)41-31-30-40-29-28-39-27-26-38-25-24-37-3/h4-31H2,1-3H3
InChIKeyVQDOKSDKJFJEMT-UHFFFAOYSA-N
XLogP7.12
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds33
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.88
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[di(tetradecyl)amino]-4-oxobutanoate
CID 176758962
propyl 4-[di(nonyl)amino]-4-oxobutanoate
CID 91703014
4-oxo-4-[2-[2-[tetradecanoyl(tetradecyl)amino]ethoxy]ethoxy]butanoic acid
CID 170390222
2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N,N-di(tetradecyl)acetamide
CID 163192847
propyl 6-(diheptylamino)-6-oxohexanoate
CID 91713245
4-methylpentyl 4-(diheptylamino)-4-oxobutanoate
CID 91737579
4-O-(2-methoxyethyl) 1-O-tetradecyl butanedioate
CID 91694095
2-methoxyethyl octanoate
CID 14009347
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate (CID 176758965) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate is CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCC(=O)OCCOCCOCCOCCOC.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate?
The InChIKey is VQDOKSDKJFJEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H65NO7/c1-4-6-8-10-12-14-16-18-22-34(23-19-17-15-13-11-9-7-5-2)32(35)20-21-33(36)41-31-30-40-29-28-39-27-26-38-25-24-37-3/h4-31H2,1-3H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate has a molecular weight of 587.88 g/mol, XLogP of 7.12, 33 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate is sourced from PubChem (CID 176758965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).