ethyl 4-(benzylcarbamoylamino)benzoate

C17H18N2O3 — CID 6457861

IUPACethyl 4-(benzylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-2-22-16(20)14-8-10-15(11-9-14)19-17(21)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,18,19,21)
InChIKeyRWYJNVFPDNEYTI-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.18
Rot. Bonds5

About ethyl 4-(benzylcarbamoylamino)benzoate

ethyl 4-(benzylcarbamoylamino)benzoate (PubChem CID 6457861) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 4-(benzylcarbamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(benzylcarbamoylamino)benzoate
PubChem CID6457861
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethyl 4-(benzylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-2-22-16(20)14-8-10-15(11-9-14)19-17(21)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,18,19,21)
InChIKeyRWYJNVFPDNEYTI-UHFFFAOYSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(4-fluorophenyl)methylcarbamoylamino]benzoate
CID 108867631
ethyl 4-[[(4-ethoxycarbonyloxyphenyl)carbamoylamino]methyl]benzoate
CID 108865745
ethyl 4-[(pyridin-4-ylcarbamoylamino)methyl]benzoate
CID 108892768
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-[[(2-methylphenyl)carbamoylamino]methyl]benzoate
CID 108894223
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 4-(methoxymethylcarbamoylamino)benzoate
CID 71410631
ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate
CID 14977501
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
ethane;ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoate
CID 145446038
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(benzylcarbamoylamino)benzoate?
The IUPAC name of ethyl 4-(benzylcarbamoylamino)benzoate (CID 6457861) is ethyl 4-(benzylcarbamoylamino)benzoate.
What is the SMILES notation for ethyl 4-(benzylcarbamoylamino)benzoate?
The canonical SMILES for ethyl 4-(benzylcarbamoylamino)benzoate is CCOC(=O)c1ccc(NC(=O)NCc2ccccc2)cc1.
What is the InChIKey of ethyl 4-(benzylcarbamoylamino)benzoate?
The InChIKey is RWYJNVFPDNEYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-22-16(20)14-8-10-15(11-9-14)19-17(21)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,18,19,21).
What are the key properties of ethyl 4-(benzylcarbamoylamino)benzoate?
ethyl 4-(benzylcarbamoylamino)benzoate has a molecular weight of 298.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(benzylcarbamoylamino)benzoate is sourced from PubChem (CID 6457861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).