tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate

C24H31NO5 — CID 68544973

IUPACtert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate
SMILESCOCc1ccccc1OC(c1ccccc1)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C24H31NO5/c1-24(2,3)30-23(26)25-14-15-28-21(16-25)22(18-10-6-5-7-11-18)29-20-13-9-8-12-19(20)17-27-4/h5-13,21-22H,14-17H2,1-4H3
InChIKeyGKDVNAKKIQKKHG-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.59
Rot. Bonds6

About tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate

tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate (PubChem CID 68544973) has the molecular formula C24H31NO5 and a molecular weight of 413.51 g/mol. Its IUPAC name is tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate
PubChem CID68544973
Molecular FormulaC24H31NO5
Molecular Weight413.51 g/mol
Exact Mass413.22
IUPAC Nametert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate
SMILESCOCc1ccccc1OC(c1ccccc1)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C24H31NO5/c1-24(2,3)30-23(26)25-14-15-28-21(16-25)22(18-10-6-5-7-11-18)29-20-13-9-8-12-19(20)17-27-4/h5-13,21-22H,14-17H2,1-4H3
InChIKeyGKDVNAKKIQKKHG-UHFFFAOYSA-N
XLogP4.59
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate (CID 68544973) is tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate is COCc1ccccc1OC(c1ccccc1)C1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate?
The InChIKey is GKDVNAKKIQKKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO5/c1-24(2,3)30-23(26)25-14-15-28-21(16-25)22(18-10-6-5-7-11-18)29-20-13-9-8-12-19(20)17-27-4/h5-13,21-22H,14-17H2,1-4H3.
What are the key properties of tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate?
tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate has a molecular weight of 413.51 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine-4-carboxylate is sourced from PubChem (CID 68544973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).