N-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide

C44H88N2O3 — CID 155928322

IUPACN-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide
SMILESCCCCCCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C44H88N2O3/c1-5-9-13-17-21-23-25-27-31-35-39-45(37-33-29-19-15-11-7-3)43(47)41-49-42-44(48)46(38-34-30-20-16-12-8-4)40-36-32-28-26-24-22-18-14-10-6-2/h5-42H2,1-4H3
InChIKeyHKMGJHLLYJCPEK-UHFFFAOYSA-N
MW693.20 g/mol
LogP13.22
Rot. Bonds40

About N-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide

N-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide (PubChem CID 155928322) has the molecular formula C44H88N2O3 and a molecular weight of 693.20 g/mol. Its IUPAC name is N-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide.

Molecular Properties

Compound NameN-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide
PubChem CID155928322
Molecular FormulaC44H88N2O3
Molecular Weight693.20 g/mol
Exact Mass692.68
IUPAC NameN-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide
SMILESCCCCCCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C44H88N2O3/c1-5-9-13-17-21-23-25-27-31-35-39-45(37-33-29-19-15-11-7-3)43(47)41-49-42-44(48)46(38-34-30-20-16-12-8-4)40-36-32-28-26-24-22-18-14-10-6-2/h5-42H2,1-4H3
InChIKeyHKMGJHLLYJCPEK-UHFFFAOYSA-N
XLogP13.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds40
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.20
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Lead ionophore I
CID 604093
2-Dioctylcarbamoylmethoxy-N,N-dioctyl-acetamide
CID 70700400
2,2'-((2-Ethyl-2-((2-(heptylmethylamino)-2-oxoethoxy)methyl)-1,3-propanediyl)bis(oxy))bis(N-heptyl-N-methylacetamide)
CID 173784
AS 701
CID 133528
Acetamide, N-dodecyl-N-(2-methoxyethyl)-
CID 178001
Acetoxyacetamide, N,N-dioctyl-
CID 533002
Calcium ionophore IV
CID 601910
Lithium ionophore I
CID 623298
2,2'-Oxybis[N,N-dipropylacetamide]
CID 12855443
2,2'-[1,2-Ethanediylbis(oxy)]bis(N,N-dioctylacetamide)
CID 85956391
[1-(Didecylamino)-1-oxopropan-2-yl] acetate
CID 229647
2,2'-Oxybis(N,N-dibutylacetamide)
CID 12855444

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide?
The IUPAC name of N-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide (CID 155928322) is N-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide.
What is the SMILES notation for N-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide?
The canonical SMILES for N-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide is CCCCCCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of N-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide?
The InChIKey is HKMGJHLLYJCPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H88N2O3/c1-5-9-13-17-21-23-25-27-31-35-39-45(37-33-29-19-15-11-7-3)43(47)41-49-42-44(48)46(38-34-30-20-16-12-8-4)40-36-32-28-26-24-22-18-14-10-6-2/h5-42H2,1-4H3.
What are the key properties of N-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide?
N-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide has a molecular weight of 693.20 g/mol, XLogP of 13.22, 40 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2-[2-[dodecyl(octyl)amino]-2-oxoethoxy]-N-octylacetamide is sourced from PubChem (CID 155928322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).