ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate

C15H18N2O3 — CID 108915686

IUPACethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N/C=C/C2CC2)cc1
InChIInChI=1S/C15H18N2O3/c1-2-20-14(18)12-5-7-13(8-6-12)17-15(19)16-10-9-11-3-4-11/h5-11H,2-4H2,1H3,(H2,16,17,19)/b10-9+
InChIKeyGILWWYFBPQJQME-MDZDMXLPSA-N
MW274.32 g/mol
LogP2.91
Rot. Bonds5

About ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate

ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate (PubChem CID 108915686) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate
PubChem CID108915686
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N/C=C/C2CC2)cc1
InChIInChI=1S/C15H18N2O3/c1-2-20-14(18)12-5-7-13(8-6-12)17-15(19)16-10-9-11-3-4-11/h5-11H,2-4H2,1H3,(H2,16,17,19)/b10-9+
InChIKeyGILWWYFBPQJQME-MDZDMXLPSA-N
XLogP2.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide
CID 108911862
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391
ethyl 4-(2-cyclopropylethenyl)benzoate
CID 66845963
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
ethyl 4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]benzoate
CID 108906070
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076103
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
ethyl 4-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 60647219
ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate
CID 108910149
ethyl 4-(methoxymethylcarbamoylamino)benzoate
CID 71410631

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate (CID 108915686) is ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)N/C=C/C2CC2)cc1.
What is the InChIKey of ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate?
The InChIKey is GILWWYFBPQJQME-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-20-14(18)12-5-7-13(8-6-12)17-15(19)16-10-9-11-3-4-11/h5-11H,2-4H2,1H3,(H2,16,17,19)/b10-9+.
What are the key properties of ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate?
ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate has a molecular weight of 274.32 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate is sourced from PubChem (CID 108915686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).