methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate

C17H23NO5 — CID 169468759

IUPACmethyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO5/c1-17(2,3)23-16(20)18-11-7-9-13-8-5-6-10-14(13)22-12-15(19)21-4/h5-10H,11-12H2,1-4H3,(H,18,20)
InChIKeyYJCBDFFUIFLNKY-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.78
Rot. Bonds6

About methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate

methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate (PubChem CID 169468759) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate
PubChem CID169468759
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Namemethyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO5/c1-17(2,3)23-16(20)18-11-7-9-13-8-5-6-10-14(13)22-12-15(19)21-4/h5-10H,11-12H2,1-4H3,(H,18,20)
InChIKeyYJCBDFFUIFLNKY-UHFFFAOYSA-N
XLogP2.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(3-ethoxy-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169468789
tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467099
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzenesulfonic acid
CID 169468610
tert-butyl N-[3-[2-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate
CID 169467425
methyl 2-(2-formylphenoxy)acetate
CID 5151625
tert-butyl N-[3-(3-chloro-2-methoxyphenyl)prop-2-enyl]carbamate
CID 169468698
tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate
CID 134353565
methyl 2-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 169468149
N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide
CID 169466327
tert-butyl N-[3-(2-amino-3-fluorophenyl)prop-2-enyl]carbamate
CID 169467187
N-[3-(2-ethoxyphenyl)prop-2-enyl]acetamide
CID 169465357
ethyl 3-[2-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 169481272

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate (CID 169468759) is methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate is COC(=O)COc1ccccc1C=CCNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate?
The InChIKey is YJCBDFFUIFLNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-17(2,3)23-16(20)18-11-7-9-13-8-5-6-10-14(13)22-12-15(19)21-4/h5-10H,11-12H2,1-4H3,(H,18,20).
What are the key properties of methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate?
methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate has a molecular weight of 321.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate is sourced from PubChem (CID 169468759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).