ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate

C16H19NO5 — CID 89121053

IUPACethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate
SMILESC=COC(=O)CCNC(=O)Oc1ccc(/C=C/C)cc1OC
InChIInChI=1S/C16H19NO5/c1-4-6-12-7-8-13(14(11-12)20-3)22-16(19)17-10-9-15(18)21-5-2/h4-8,11H,2,9-10H2,1,3H3,(H,17,19)/b6-4+
InChIKeyKIACWBJYVIRBKJ-GQCTYLIASA-N
MW305.33 g/mol
LogP2.89
Rot. Bonds7

About ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate

ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate (PubChem CID 89121053) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate.

Molecular Properties

Compound Nameethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate
PubChem CID89121053
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Nameethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate
SMILESC=COC(=O)CCNC(=O)Oc1ccc(/C=C/C)cc1OC
InChIInChI=1S/C16H19NO5/c1-4-6-12-7-8-13(14(11-12)20-3)22-16(19)17-10-9-15(18)21-5-2/h4-8,11H,2,9-10H2,1,3H3,(H,17,19)/b6-4+
InChIKeyKIACWBJYVIRBKJ-GQCTYLIASA-N
XLogP2.89
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CID 6428969
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate
CID 89121058
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate
CID 6032739
ethenyl 3-(ethenoxycarbonylamino)propanoate
CID 87997576
ethyl 2-(2-methoxy-4-prop-1-enylphenoxy)propanoate
CID 76914392
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-[(2-methylcyclopropanecarbonyl)amino]propanoate
CID 55670786
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 152820667
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
CID 17393273
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene;1-(4-methylphenyl)propan-1-one
CID 174893662
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
2-(2-methoxy-4-prop-1-enylphenoxy)butanehydrazide
CID 76999474

Frequently Asked Questions

What is the IUPAC name of ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate?
The IUPAC name of ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate (CID 89121053) is ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate.
What is the SMILES notation for ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate?
The canonical SMILES for ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate is C=COC(=O)CCNC(=O)Oc1ccc(/C=C/C)cc1OC.
What is the InChIKey of ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate?
The InChIKey is KIACWBJYVIRBKJ-GQCTYLIASA-N. The full InChI is InChI=1S/C16H19NO5/c1-4-6-12-7-8-13(14(11-12)20-3)22-16(19)17-10-9-15(18)21-5-2/h4-8,11H,2,9-10H2,1,3H3,(H,17,19)/b6-4+.
What are the key properties of ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate?
ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate has a molecular weight of 305.33 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]propanoate is sourced from PubChem (CID 89121053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).