[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate

C21H25NO5 — CID 8807895

IUPAC[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
SMILESCOc1ccccc1OCCNC(=O)COC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C21H25NO5/c1-14-11-15(2)20(16(3)12-14)21(24)27-13-19(23)22-9-10-26-18-8-6-5-7-17(18)25-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,23)
InChIKeyKFUKCYFTRMVLHJ-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.97
Rot. Bonds8

About [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate

[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate (PubChem CID 8807895) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Name[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
PubChem CID8807895
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
SMILESCOc1ccccc1OCCNC(=O)COC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C21H25NO5/c1-14-11-15(2)20(16(3)12-14)21(24)27-13-19(23)22-9-10-26-18-8-6-5-7-17(18)25-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,23)
InChIKeyKFUKCYFTRMVLHJ-UHFFFAOYSA-N
XLogP2.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 4-methylbenzoate
CID 9018182
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387139
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 9014536
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 8806743
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 9200733
[2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 24683584
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927593
[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 9203133
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
[2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 2,3-dimethoxybenzoate
CID 9203477
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate?
The IUPAC name of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate (CID 8807895) is [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate.
What is the SMILES notation for [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate?
The canonical SMILES for [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate is COc1ccccc1OCCNC(=O)COC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate?
The InChIKey is KFUKCYFTRMVLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-14-11-15(2)20(16(3)12-14)21(24)27-13-19(23)22-9-10-26-18-8-6-5-7-17(18)25-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,23).
What are the key properties of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate?
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate has a molecular weight of 371.43 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate is sourced from PubChem (CID 8807895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).