tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate

C20H31NO5 — CID 142133055

IUPACtert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate
SMILESCOCCN(CC=O)Cc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H31NO5/c1-19(2,3)26-18(23)20(4,5)25-17-9-7-16(8-10-17)15-21(11-13-22)12-14-24-6/h7-10,13H,11-12,14-15H2,1-6H3
InChIKeyKDJYGSUSFBZTLH-UHFFFAOYSA-N
MW365.47 g/mol
LogP2.83
Rot. Bonds10

About tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate

tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate (PubChem CID 142133055) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate
PubChem CID142133055
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC Nametert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate
SMILESCOCCN(CC=O)Cc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H31NO5/c1-19(2,3)26-18(23)20(4,5)25-17-9-7-16(8-10-17)15-21(11-13-22)12-14-24-6/h7-10,13H,11-12,14-15H2,1-6H3
InChIKeyKDJYGSUSFBZTLH-UHFFFAOYSA-N
XLogP2.83
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate?
The IUPAC name of tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate (CID 142133055) is tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate is COCCN(CC=O)Cc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate?
The InChIKey is KDJYGSUSFBZTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO5/c1-19(2,3)26-18(23)20(4,5)25-17-9-7-16(8-10-17)15-21(11-13-22)12-14-24-6/h7-10,13H,11-12,14-15H2,1-6H3.
What are the key properties of tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate?
tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate has a molecular weight of 365.47 g/mol, XLogP of 2.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[[2-methoxyethyl(2-oxoethyl)amino]methyl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 142133055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).