ethyl 2-(dihexylamino)-2-oxoacetate

C16H31NO3 — CID 6425347

IUPACethyl 2-(dihexylamino)-2-oxoacetate
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)OCC
InChIInChI=1S/C16H31NO3/c1-4-7-9-11-13-17(14-12-10-8-5-2)15(18)16(19)20-6-3/h4-14H2,1-3H3
InChIKeyGOCJDOKPHDNMPD-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.54
Rot. Bonds11

About ethyl 2-(dihexylamino)-2-oxoacetate

ethyl 2-(dihexylamino)-2-oxoacetate (PubChem CID 6425347) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 2-(dihexylamino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(dihexylamino)-2-oxoacetate
PubChem CID6425347
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nameethyl 2-(dihexylamino)-2-oxoacetate
SMILESCCCCCCN(CCCCCC)C(=O)C(=O)OCC
InChIInChI=1S/C16H31NO3/c1-4-7-9-11-13-17(14-12-10-8-5-2)15(18)16(19)20-6-3/h4-14H2,1-3H3
InChIKeyGOCJDOKPHDNMPD-UHFFFAOYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetrahexyloxamide
CID 6424911
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
N',N'-dioctadecyloxamide
CID 54497742
ethyl N-heptyl-N-(3-hydroxypropyl)carbamate
CID 64593193
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
1-butyl-1-dodecylurea
CID 168918855
N,N-di(undecyl)pentanamide
CID 532896
N,N-di(nonyl)octanamide
CID 533141

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dihexylamino)-2-oxoacetate?
The IUPAC name of ethyl 2-(dihexylamino)-2-oxoacetate (CID 6425347) is ethyl 2-(dihexylamino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(dihexylamino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(dihexylamino)-2-oxoacetate is CCCCCCN(CCCCCC)C(=O)C(=O)OCC.
What is the InChIKey of ethyl 2-(dihexylamino)-2-oxoacetate?
The InChIKey is GOCJDOKPHDNMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-4-7-9-11-13-17(14-12-10-8-5-2)15(18)16(19)20-6-3/h4-14H2,1-3H3.
What are the key properties of ethyl 2-(dihexylamino)-2-oxoacetate?
ethyl 2-(dihexylamino)-2-oxoacetate has a molecular weight of 285.43 g/mol, XLogP of 3.54, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dihexylamino)-2-oxoacetate is sourced from PubChem (CID 6425347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).