octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate

C26H51NO5 — CID 91723550

IUPACoctadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CN(CC)C(=O)OCCOC
InChIInChI=1S/C26H51NO5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-25(28)24-27(5-2)26(29)32-23-22-30-3/h4-24H2,1-3H3
InChIKeyANBPXRYMKMZDRP-UHFFFAOYSA-N
MW457.70 g/mol
LogP6.90
Rot. Bonds23

About octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate

octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate (PubChem CID 91723550) has the molecular formula C26H51NO5 and a molecular weight of 457.70 g/mol. Its IUPAC name is octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate.

Molecular Properties

Compound Nameoctadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
PubChem CID91723550
Molecular FormulaC26H51NO5
Molecular Weight457.70 g/mol
Exact Mass457.38
IUPAC Nameoctadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CN(CC)C(=O)OCCOC
InChIInChI=1S/C26H51NO5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-25(28)24-27(5-2)26(29)32-23-22-30-3/h4-24H2,1-3H3
InChIKeyANBPXRYMKMZDRP-UHFFFAOYSA-N
XLogP6.90
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.70
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723541
octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate
CID 91723566
heptadecyl 2-[butoxycarbonyl(ethyl)amino]acetate
CID 91723067
dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate
CID 91718812
undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate
CID 91722849
4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723542
heptadecyl 2-[ethyl(prop-2-ynoxycarbonyl)amino]acetate
CID 91716860
butyl 2-[ethoxycarbonyl(ethyl)amino]acetate
CID 91714262
heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719245
hexyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719271
4-O-(2-methoxyethyl) 1-O-tetradecyl butanedioate
CID 91694095
5-O-(2-methoxyethyl) 1-O-tetradecyl pentanedioate
CID 91706373

Frequently Asked Questions

What is the IUPAC name of octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate?
The IUPAC name of octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate (CID 91723550) is octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate.
What is the SMILES notation for octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate?
The canonical SMILES for octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate is CCCCCCCCCCCCCCCCCCOC(=O)CN(CC)C(=O)OCCOC.
What is the InChIKey of octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate?
The InChIKey is ANBPXRYMKMZDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-25(28)24-27(5-2)26(29)32-23-22-30-3/h4-24H2,1-3H3.
What are the key properties of octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate?
octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate has a molecular weight of 457.70 g/mol, XLogP of 6.90, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate is sourced from PubChem (CID 91723550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).