methyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate

C17H22N2O6 — CID 142637195

IUPACmethyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate
SMILESC=C(C(=O)OC)c1cccc(OC)c1COC(=O)NN1CCOCC1
InChIInChI=1S/C17H22N2O6/c1-12(16(20)23-3)13-5-4-6-15(22-2)14(13)11-25-17(21)18-19-7-9-24-10-8-19/h4-6H,1,7-11H2,2-3H3,(H,18,21)
InChIKeyWOWWSEQRVFMTQH-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.35
Rot. Bonds6

About methyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate

methyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate (PubChem CID 142637195) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate
PubChem CID142637195
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Namemethyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate
SMILESC=C(C(=O)OC)c1cccc(OC)c1COC(=O)NN1CCOCC1
InChIInChI=1S/C17H22N2O6/c1-12(16(20)23-3)13-5-4-6-15(22-2)14(13)11-25-17(21)18-19-7-9-24-10-8-19/h4-6H,1,7-11H2,2-3H3,(H,18,21)
InChIKeyWOWWSEQRVFMTQH-UHFFFAOYSA-N
XLogP1.35
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.35
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

benzyl N-morpholin-4-ylcarbamate
CID 54530052
(3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate
CID 29382847
(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
CID 7811749
2-hydroxy-3-methyl-N-morpholin-4-ylbenzamide
CID 78910153
2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide
CID 83012420
3-methoxy-2-(methoxymethyl)benzoic acid
CID 59838599
(2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
CID 2448565
2-morpholin-4-ylethyl 2-ethoxy-3-methoxybenzoate;hydrochloride
CID 138398636
(2-fluorophenyl) N-morpholin-4-ylcarbamate
CID 69134552
2-morpholin-4-ylethyl N-(2-methoxyphenyl)carbamate
CID 3087022
2-hydroxy-3-methoxy-N-(3-morpholin-4-ylcyclobutyl)benzamide
CID 126822650
(2-hydroxy-6-methoxyphenyl)methyl acetate
CID 162054633

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate?
The IUPAC name of methyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate (CID 142637195) is methyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate?
The canonical SMILES for methyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate is C=C(C(=O)OC)c1cccc(OC)c1COC(=O)NN1CCOCC1.
What is the InChIKey of methyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate?
The InChIKey is WOWWSEQRVFMTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-12(16(20)23-3)13-5-4-6-15(22-2)14(13)11-25-17(21)18-19-7-9-24-10-8-19/h4-6H,1,7-11H2,2-3H3,(H,18,21).
What are the key properties of methyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate?
methyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate has a molecular weight of 350.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methoxy-2-(morpholin-4-ylcarbamoyloxymethyl)phenyl]prop-2-enoate is sourced from PubChem (CID 142637195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).