octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate

C20H38N2O6 — CID 91723566

IUPACoctyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCCCCCCCOC(=O)CN(CC)C(=O)CN(CC)C(=O)OCCOC
InChIInChI=1S/C20H38N2O6/c1-5-8-9-10-11-12-13-27-19(24)17-21(6-2)18(23)16-22(7-3)20(25)28-15-14-26-4/h5-17H2,1-4H3
InChIKeyHIIYXROBVYTVIP-UHFFFAOYSA-N
MW402.53 g/mol
LogP2.84
Rot. Bonds16

About octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate

octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate (PubChem CID 91723566) has the molecular formula C20H38N2O6 and a molecular weight of 402.53 g/mol. Its IUPAC name is octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Nameoctyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate
PubChem CID91723566
Molecular FormulaC20H38N2O6
Molecular Weight402.53 g/mol
Exact Mass402.27
IUPAC Nameoctyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCCCCCCCOC(=O)CN(CC)C(=O)CN(CC)C(=O)OCCOC
InChIInChI=1S/C20H38N2O6/c1-5-8-9-10-11-12-13-27-19(24)17-21(6-2)18(23)16-22(7-3)20(25)28-15-14-26-4/h5-17H2,1-4H3
InChIKeyHIIYXROBVYTVIP-UHFFFAOYSA-N
XLogP2.84
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

octadecyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723550
pentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723541
heptadecyl 2-[butoxycarbonyl(ethyl)amino]acetate
CID 91723067
dodecyl 2-[ethyl(propoxycarbonyl)amino]acetate
CID 91718812
butyl 2-[ethoxycarbonyl(ethyl)amino]acetate
CID 91714262
4-methylpentyl 2-[ethyl(2-methoxyethoxycarbonyl)amino]acetate
CID 91723542
undecyl 2-[ethyl(2-methylpropoxycarbonyl)amino]acetate
CID 91722849
hexyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719271
heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719245
heptadecyl 2-[ethyl(prop-2-ynoxycarbonyl)amino]acetate
CID 91716860
4-O-(2-methoxyethyl) 1-O-tetradecyl butanedioate
CID 91694095
2-(2-butoxyethoxy)ethyl 2-[[2-[2-(2-butoxyethoxy)ethoxy]-2-oxoethyl]-hexadecanoylamino]acetate
CID 616142

Frequently Asked Questions

What is the IUPAC name of octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate?
The IUPAC name of octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate (CID 91723566) is octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate is CCCCCCCCOC(=O)CN(CC)C(=O)CN(CC)C(=O)OCCOC.
What is the InChIKey of octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate?
The InChIKey is HIIYXROBVYTVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O6/c1-5-8-9-10-11-12-13-27-19(24)17-21(6-2)18(23)16-22(7-3)20(25)28-15-14-26-4/h5-17H2,1-4H3.
What are the key properties of octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate?
octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate has a molecular weight of 402.53 g/mol, XLogP of 2.84, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-[ethyl-[2-[ethyl(2-methoxyethoxycarbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 91723566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).