[2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane

C21H33NO5 — CID 167669029

IUPAC[2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane
SMILESC.CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CN1CCOCC1
InChIInChI=1S/C20H29NO5.CH4/c1-14(2)16-6-5-7-17(15(3)4)20(16)26-19(23)13-25-18(22)12-21-8-10-24-11-9-21;/h5-7,14-15H,8-13H2,1-4H3;1H4
InChIKeyTVDIOSBRYNQXJQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.35
Rot. Bonds7

About [2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane

[2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane (PubChem CID 167669029) has the molecular formula C21H33NO5 and a molecular weight of 379.50 g/mol. Its IUPAC name is [2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane.

Molecular Properties

Compound Name[2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane
PubChem CID167669029
Molecular FormulaC21H33NO5
Molecular Weight379.50 g/mol
Exact Mass379.24
IUPAC Name[2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane
SMILESC.CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CN1CCOCC1
InChIInChI=1S/C20H29NO5.CH4/c1-14(2)16-6-5-7-17(15(3)4)20(16)26-19(23)13-25-18(22)12-21-8-10-24-11-9-21;/h5-7,14-15H,8-13H2,1-4H3;1H4
InChIKeyTVDIOSBRYNQXJQ-UHFFFAOYSA-N
XLogP3.35
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis([2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 4-methylmorpholine-3-carboxylate);[2,6-di(propan-2-yl)phenyl] 2-chloroacetate;4-methylmorpholine-3-carboxylic acid;dihydrochloride
CID 167547003
1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride
CID 53422269
[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate
CID 67493330
[2-[2-[(1R)-1-[2-[2-[2-[2-[(2R)-2-aminopropanoyl]oxyacetyl]oxy-3-[(1R)-1-cyclopropylethyl]phenyl]propyl]cyclopropyl]ethyl]-6-propan-2-ylphenoxy]-2-oxoethyl] (2S)-2-aminopropanoate
CID 167229379
methyl 2-morpholin-4-ylacetate
CID 1268178
N-(2-methyl-6-propan-2-ylphenyl)-3-morpholin-4-ylpropanamide
CID 47093071
naphthalen-1-yl 3-morpholin-4-ylpropanoate
CID 68790783
3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one
CID 109015777
N-(2-methyl-6-propan-2-ylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105948
(2-nitrophenyl) 2-morpholin-4-ylacetate
CID 164900000
phenanthren-3-yl 2-morpholin-4-ylacetate
CID 150233502
benzyl 2-(1,7,13-trioxa-4,10,16-triazacyclooctadec-4-yl)acetate
CID 177188457

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane?
The IUPAC name of [2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane (CID 167669029) is [2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane.
What is the SMILES notation for [2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane?
The canonical SMILES for [2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane is C.CC(C)c1cccc(C(C)C)c1OC(=O)COC(=O)CN1CCOCC1.
What is the InChIKey of [2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane?
The InChIKey is TVDIOSBRYNQXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5.CH4/c1-14(2)16-6-5-7-17(15(3)4)20(16)26-19(23)13-25-18(22)12-21-8-10-24-11-9-21;/h5-7,14-15H,8-13H2,1-4H3;1H4.
What are the key properties of [2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane?
[2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane has a molecular weight of 379.50 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-di(propan-2-yl)phenoxy]-2-oxoethyl] 2-morpholin-4-ylacetate;methane is sourced from PubChem (CID 167669029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).