[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate

C21H25NO5 — CID 8568225

IUPAC[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCOc1ccccc1OCCNC(=O)COC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C21H25NO5/c1-21(2,16-9-5-4-6-10-16)20(24)27-15-19(23)22-13-14-26-18-12-8-7-11-17(18)25-3/h4-12H,13-15H2,1-3H3,(H,22,23)
InChIKeyNBAHJHILXOHVMB-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.71
Rot. Bonds9

About [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate

[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate (PubChem CID 8568225) 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-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
PubChem CID8568225
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCOc1ccccc1OCCNC(=O)COC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C21H25NO5/c1-21(2,16-9-5-4-6-10-16)20(24)27-15-19(23)22-13-14-26-18-12-8-7-11-17(18)25-3/h4-12H,13-15H2,1-3H3,(H,22,23)
InChIKeyNBAHJHILXOHVMB-UHFFFAOYSA-N
XLogP2.71
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.71
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] 3-(trifluoromethyl)benzoate
CID 9014536
cis-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 9230441
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 4-methylbenzoate
CID 9018182
N-[2-(2-methoxyphenoxy)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46546443
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807895
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate
CID 38455025
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927593
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 8647671
N-[2-(2-methoxyphenoxy)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 27894835

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate (CID 8568225) is [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate is COc1ccccc1OCCNC(=O)COC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The InChIKey is NBAHJHILXOHVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-21(2,16-9-5-4-6-10-16)20(24)27-15-19(23)22-13-14-26-18-12-8-7-11-17(18)25-3/h4-12H,13-15H2,1-3H3,(H,22,23).
What are the key properties of [2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate?
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate has a molecular weight of 371.43 g/mol, XLogP of 2.71, 9 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-methyl-2-phenylpropanoate is sourced from PubChem (CID 8568225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).