ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate

C13H16N2O3 — CID 108910149

IUPACethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate
SMILESC=C(C)NC(=O)Nc1ccc(C(=O)OCC)cc1
InChIInChI=1S/C13H16N2O3/c1-4-18-12(16)10-5-7-11(8-6-10)15-13(17)14-9(2)3/h5-8H,2,4H2,1,3H3,(H2,14,15,17)
InChIKeyAZSZGFQWAVHZBU-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.52
Rot. Bonds4

About ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate

ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate (PubChem CID 108910149) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate
PubChem CID108910149
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nameethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate
SMILESC=C(C)NC(=O)Nc1ccc(C(=O)OCC)cc1
InChIInChI=1S/C13H16N2O3/c1-4-18-12(16)10-5-7-11(8-6-10)15-13(17)14-9(2)3/h5-8H,2,4H2,1,3H3,(H2,14,15,17)
InChIKeyAZSZGFQWAVHZBU-UHFFFAOYSA-N
XLogP2.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
ethyl 4-(methoxymethylcarbamoylamino)benzoate
CID 71410631
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
4-(4-ethoxycarbonylanilino)-2-methylidene-4-oxobutanoic acid
CID 18381040
ethyl 4-[[4-(4-methylphenyl)-4-oxobut-1-en-2-yl]amino]benzoate
CID 2291713
ethyl 4-[[(4-hydroxybenzoyl)amino]carbamoylamino]benzoate
CID 134119432
ethyl 4-[(2-hydroxyphenyl)carbamoylamino]benzoate
CID 108871366

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate?
The IUPAC name of ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate (CID 108910149) is ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate.
What is the SMILES notation for ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate?
The canonical SMILES for ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate is C=C(C)NC(=O)Nc1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate?
The InChIKey is AZSZGFQWAVHZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-18-12(16)10-5-7-11(8-6-10)15-13(17)14-9(2)3/h5-8H,2,4H2,1,3H3,(H2,14,15,17).
What are the key properties of ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate?
ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate has a molecular weight of 248.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate is sourced from PubChem (CID 108910149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).