ethyl 3-(cyclobutylcarbamoylamino)benzoate

C14H18N2O3 — CID 3737149

IUPACethyl 3-(cyclobutylcarbamoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)NC2CCC2)c1
InChIInChI=1S/C14H18N2O3/c1-2-19-13(17)10-5-3-8-12(9-10)16-14(18)15-11-6-4-7-11/h3,5,8-9,11H,2,4,6-7H2,1H3,(H2,15,16,18)
InChIKeyRHTQFRSWUJTING-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.54
Rot. Bonds4

About ethyl 3-(cyclobutylcarbamoylamino)benzoate

ethyl 3-(cyclobutylcarbamoylamino)benzoate (PubChem CID 3737149) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 3-(cyclobutylcarbamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(cyclobutylcarbamoylamino)benzoate
PubChem CID3737149
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 3-(cyclobutylcarbamoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)NC2CCC2)c1
InChIInChI=1S/C14H18N2O3/c1-2-19-13(17)10-5-3-8-12(9-10)16-14(18)15-11-6-4-7-11/h3,5,8-9,11H,2,4,6-7H2,1H3,(H2,15,16,18)
InChIKeyRHTQFRSWUJTING-UHFFFAOYSA-N
XLogP2.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(2-oxoazepan-3-yl)carbamoylamino]benzoate
CID 54104528
ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
ethyl 3-acetamidobenzoate
CID 700589
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate
CID 100744542
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
ethyl 3-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)benzoate
CID 3869114
ethyl 3-(3-cyclopentylpropanoylamino)benzoate
CID 837279
[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 4829050
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclobutylcarbamoylamino)benzoate?
The IUPAC name of ethyl 3-(cyclobutylcarbamoylamino)benzoate (CID 3737149) is ethyl 3-(cyclobutylcarbamoylamino)benzoate.
What is the SMILES notation for ethyl 3-(cyclobutylcarbamoylamino)benzoate?
The canonical SMILES for ethyl 3-(cyclobutylcarbamoylamino)benzoate is CCOC(=O)c1cccc(NC(=O)NC2CCC2)c1.
What is the InChIKey of ethyl 3-(cyclobutylcarbamoylamino)benzoate?
The InChIKey is RHTQFRSWUJTING-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-19-13(17)10-5-3-8-12(9-10)16-14(18)15-11-6-4-7-11/h3,5,8-9,11H,2,4,6-7H2,1H3,(H2,15,16,18).
What are the key properties of ethyl 3-(cyclobutylcarbamoylamino)benzoate?
ethyl 3-(cyclobutylcarbamoylamino)benzoate has a molecular weight of 262.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclobutylcarbamoylamino)benzoate is sourced from PubChem (CID 3737149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).