[2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate

C16H23NO4 — CID 165437646

IUPAC[2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate
SMILESCCc1cccc(CC)c1N(COC)C(=O)COC(C)=O
InChIInChI=1S/C16H23NO4/c1-5-13-8-7-9-14(6-2)16(13)17(11-20-4)15(19)10-21-12(3)18/h7-9H,5-6,10-11H2,1-4H3
InChIKeyGLGUQFKGIQZKCF-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.31
Rot. Bonds7

About [2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate

[2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate (PubChem CID 165437646) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate
PubChem CID165437646
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate
SMILESCCc1cccc(CC)c1N(COC)C(=O)COC(C)=O
InChIInChI=1S/C16H23NO4/c1-5-13-8-7-9-14(6-2)16(13)17(11-20-4)15(19)10-21-12(3)18/h7-9H,5-6,10-11H2,1-4H3
InChIKeyGLGUQFKGIQZKCF-UHFFFAOYSA-N
XLogP2.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 21424325
3-amino-N-(2,6-diethylphenyl)-N-ethylpropanamide
CID 28795326
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
CID 1128221
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 21124454
2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-2,6-diethylanilino)acetate
CID 57065804
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 70292332
2-(4-benzylphenoxy)-N,N-diethylethanamine;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;hydrochloride
CID 131720780
N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 6448437
ethyl 1-(2,6-diethyl-N-(2-methoxyacetyl)anilino)cyclopropane-1-carboxylate
CID 20502728
[2-[4-[(2-acetyloxyacetyl)-(2-methylpropyl)amino]-N-(2-methylpropyl)anilino]-2-oxoethyl] acetate
CID 137491901
2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 154111334

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate?
The IUPAC name of [2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate (CID 165437646) is [2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate is CCc1cccc(CC)c1N(COC)C(=O)COC(C)=O.
What is the InChIKey of [2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate?
The InChIKey is GLGUQFKGIQZKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-13-8-7-9-14(6-2)16(13)17(11-20-4)15(19)10-21-12(3)18/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of [2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate?
[2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate has a molecular weight of 293.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoethyl] acetate is sourced from PubChem (CID 165437646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).