methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate

C14H18N2O4 — CID 108905996

IUPACmethyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)N/C=C/c1cccc(OC)c1
InChIInChI=1S/C14H18N2O4/c1-19-12-5-3-4-11(10-12)6-8-15-14(18)16-9-7-13(17)20-2/h3-6,8,10H,7,9H2,1-2H3,(H2,15,16,18)/b8-6+
InChIKeyCZQMXPSJFMTOLE-SOFGYWHQSA-N
MW278.31 g/mol
LogP1.53
Rot. Bonds6

About methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate

methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate (PubChem CID 108905996) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
PubChem CID108905996
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)N/C=C/c1cccc(OC)c1
InChIInChI=1S/C14H18N2O4/c1-19-12-5-3-4-11(10-12)6-8-15-14(18)16-9-7-13(17)20-2/h3-6,8,10H,7,9H2,1-2H3,(H2,15,16,18)/b8-6+
InChIKeyCZQMXPSJFMTOLE-SOFGYWHQSA-N
XLogP1.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate with MolForge

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905907
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea
CID 108906032
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108906013
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108906014
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083
1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905741
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108905985
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905842
1-(2,4-dichlorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905710
1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905958

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate?
The IUPAC name of methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate (CID 108905996) is methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate.
What is the SMILES notation for methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate?
The canonical SMILES for methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate is COC(=O)CCNC(=O)N/C=C/c1cccc(OC)c1.
What is the InChIKey of methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate?
The InChIKey is CZQMXPSJFMTOLE-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-12-5-3-4-11(10-12)6-8-15-14(18)16-9-7-13(17)20-2/h3-6,8,10H,7,9H2,1-2H3,(H2,15,16,18)/b8-6+.
What are the key properties of methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate?
methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate has a molecular weight of 278.31 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate is sourced from PubChem (CID 108905996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).