(2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate

C18H25NO6 — CID 70159413

IUPAC(2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)OCC(O)CN2CCOCC2)cc1OC
InChIInChI=1S/C18H25NO6/c1-22-16-5-3-14(11-17(16)23-2)4-6-18(21)25-13-15(20)12-19-7-9-24-10-8-19/h3-6,11,15,20H,7-10,12-13H2,1-2H3
InChIKeyAPTSNEMFFIZQNW-UHFFFAOYSA-N
MW351.40 g/mol
LogP0.95
Rot. Bonds8

About (2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate

(2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate (PubChem CID 70159413) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is (2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
PubChem CID70159413
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name(2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)OCC(O)CN2CCOCC2)cc1OC
InChIInChI=1S/C18H25NO6/c1-22-16-5-3-14(11-17(16)23-2)4-6-18(21)25-13-15(20)12-19-7-9-24-10-8-19/h3-6,11,15,20H,7-10,12-13H2,1-2H3
InChIKeyAPTSNEMFFIZQNW-UHFFFAOYSA-N
XLogP0.95
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 69299982
2-acetyloxy-4-[3-[3-[3-(3,4-dimethoxyphenyl)prop-2-enoyloxy]-2-hydroxypropoxy]-3-oxoprop-1-enyl]benzoic acid
CID 78155088
1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol
CID 2769761
(E)-3-(3,4-dimethoxyphenyl)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
CID 8830206
(E)-3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2318345
(2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol
CID 44541895
(1E,4E)-1,5-bis[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]penta-1,4-dien-3-one
CID 127035896
(3-acetyloxy-2-hydroxypropyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 164575623
(2-amino-2-oxoethyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6163287
(2-morpholin-4-yl-2-oxoethyl) 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate
CID 3968128
(2-oxo-2-piperidin-1-ylethyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 4692193
[2-(azepan-1-yl)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 2346238

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of (2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate (CID 70159413) is (2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for (2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate is COc1ccc(C=CC(=O)OCC(O)CN2CCOCC2)cc1OC.
What is the InChIKey of (2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate?
The InChIKey is APTSNEMFFIZQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-22-16-5-3-14(11-17(16)23-2)4-6-18(21)25-13-15(20)12-19-7-9-24-10-8-19/h3-6,11,15,20H,7-10,12-13H2,1-2H3.
What are the key properties of (2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate?
(2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate has a molecular weight of 351.40 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-morpholin-4-ylpropyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 70159413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).