tert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate

C19H29NO5 — CID 67527115

IUPACtert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1cccc(C(CCO)N2CCOCC2)c1
InChIInChI=1S/C19H29NO5/c1-19(2,3)25-18(22)14-24-16-6-4-5-15(13-16)17(7-10-21)20-8-11-23-12-9-20/h4-6,13,17,21H,7-12,14H2,1-3H3
InChIKeyMRIMYFXBUSRKRN-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.16
Rot. Bonds7

About tert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate

tert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate (PubChem CID 67527115) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is tert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate
PubChem CID67527115
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Nametert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1cccc(C(CCO)N2CCOCC2)c1
InChIInChI=1S/C19H29NO5/c1-19(2,3)25-18(22)14-24-16-6-4-5-15(13-16)17(7-10-21)20-8-11-23-12-9-20/h4-6,13,17,21H,7-12,14H2,1-3H3
InChIKeyMRIMYFXBUSRKRN-UHFFFAOYSA-N
XLogP2.16
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 30834684
2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 110304123
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
tert-butyl 2-[3-[1-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]phenoxy]acetate
CID 123648817
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 16811467
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
tert-butyl 2-[3-[3-(2-fluoro-4,5-dimethoxyphenyl)-1-hydroxypropyl]phenoxy]acetate
CID 146315607
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 30575745
5-morpholin-4-yl-5-phenylpentan-2-one
CID 67114614
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide
CID 44902864
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 112506741
N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-phenoxyacetamide
CID 35578113

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate?
The IUPAC name of tert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate (CID 67527115) is tert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate.
What is the SMILES notation for tert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate?
The canonical SMILES for tert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate is CC(C)(C)OC(=O)COc1cccc(C(CCO)N2CCOCC2)c1.
What is the InChIKey of tert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate?
The InChIKey is MRIMYFXBUSRKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-19(2,3)25-18(22)14-24-16-6-4-5-15(13-16)17(7-10-21)20-8-11-23-12-9-20/h4-6,13,17,21H,7-12,14H2,1-3H3.
What are the key properties of tert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate?
tert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate has a molecular weight of 351.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(3-hydroxy-1-morpholin-4-ylpropyl)phenoxy]acetate is sourced from PubChem (CID 67527115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).