decyl 2-(2-ethylanilino)-2-oxoacetate

C20H31NO3 — CID 6423339

IUPACdecyl 2-(2-ethylanilino)-2-oxoacetate
SMILESCCCCCCCCCCOC(=O)C(=O)Nc1ccccc1CC
InChIInChI=1S/C20H31NO3/c1-3-5-6-7-8-9-10-13-16-24-20(23)19(22)21-18-15-12-11-14-17(18)4-2/h11-12,14-15H,3-10,13,16H2,1-2H3,(H,21,22)
InChIKeyXSILUWFABPHUMZ-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.87
Rot. Bonds11

About decyl 2-(2-ethylanilino)-2-oxoacetate

decyl 2-(2-ethylanilino)-2-oxoacetate (PubChem CID 6423339) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is decyl 2-(2-ethylanilino)-2-oxoacetate.

Molecular Properties

Compound Namedecyl 2-(2-ethylanilino)-2-oxoacetate
PubChem CID6423339
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Namedecyl 2-(2-ethylanilino)-2-oxoacetate
SMILESCCCCCCCCCCOC(=O)C(=O)Nc1ccccc1CC
InChIInChI=1S/C20H31NO3/c1-3-5-6-7-8-9-10-13-16-24-20(23)19(22)21-18-15-12-11-14-17(18)4-2/h11-12,14-15H,3-10,13,16H2,1-2H3,(H,21,22)
InChIKeyXSILUWFABPHUMZ-UHFFFAOYSA-N
XLogP4.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
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

heptyl 2-(2-chloroanilino)-2-oxoacetate
CID 6420862
octadecyl 2-(2-fluoroanilino)-2-oxoacetate
CID 6422180
butyl 2-(2-fluoroanilino)-2-oxoacetate
CID 6423021
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
octyl 2-oxo-2-(N-phenylanilino)acetate
CID 141196230
heptyl 2-(3-chloroanilino)-2-oxoacetate
CID 6420863
(2-heptadecylphenyl)carbamic acid
CID 71374202
1-(2-ethylphenyl)-3-nonylthiourea
CID 19651096
ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate
CID 61408382
pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229182
heptyl 2-oxo-2-(2-phenylethylamino)acetate
CID 6421927

Frequently Asked Questions

What is the IUPAC name of decyl 2-(2-ethylanilino)-2-oxoacetate?
The IUPAC name of decyl 2-(2-ethylanilino)-2-oxoacetate (CID 6423339) is decyl 2-(2-ethylanilino)-2-oxoacetate.
What is the SMILES notation for decyl 2-(2-ethylanilino)-2-oxoacetate?
The canonical SMILES for decyl 2-(2-ethylanilino)-2-oxoacetate is CCCCCCCCCCOC(=O)C(=O)Nc1ccccc1CC.
What is the InChIKey of decyl 2-(2-ethylanilino)-2-oxoacetate?
The InChIKey is XSILUWFABPHUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-3-5-6-7-8-9-10-13-16-24-20(23)19(22)21-18-15-12-11-14-17(18)4-2/h11-12,14-15H,3-10,13,16H2,1-2H3,(H,21,22).
What are the key properties of decyl 2-(2-ethylanilino)-2-oxoacetate?
decyl 2-(2-ethylanilino)-2-oxoacetate has a molecular weight of 333.47 g/mol, XLogP of 4.87, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-(2-ethylanilino)-2-oxoacetate is sourced from PubChem (CID 6423339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).