ethyl 2-(cycloheptylcarbamoylamino)benzoate

C17H24N2O3 — CID 108990696

IUPACethyl 2-(cycloheptylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)NC1CCCCCC1
InChIInChI=1S/C17H24N2O3/c1-2-22-16(20)14-11-7-8-12-15(14)19-17(21)18-13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3,(H2,18,19,21)
InChIKeyXLJGBIXFLXBZHO-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.71
Rot. Bonds4

About ethyl 2-(cycloheptylcarbamoylamino)benzoate

ethyl 2-(cycloheptylcarbamoylamino)benzoate (PubChem CID 108990696) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 2-(cycloheptylcarbamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(cycloheptylcarbamoylamino)benzoate
PubChem CID108990696
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 2-(cycloheptylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)NC1CCCCCC1
InChIInChI=1S/C17H24N2O3/c1-2-22-16(20)14-11-7-8-12-15(14)19-17(21)18-13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3,(H2,18,19,21)
InChIKeyXLJGBIXFLXBZHO-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189
propyl 2-(cyclohexylcarbamoylamino)benzoate
CID 122389649
ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate
CID 113001757
ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate
CID 3679782
ethyl 3-(cyclooctylcarbamothioylamino)-2-methylbenzoate
CID 100663642
ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate
CID 100744542
ethyl 2-[[2-(cyclohexylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109250634
ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109081013
ethyl 2-(cyclopropylamino)benzoate
CID 103438878
ethyl 2-[[5-(cycloheptylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109161084
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
ethyl 2-[[5-(cycloheptylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109287547

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cycloheptylcarbamoylamino)benzoate?
The IUPAC name of ethyl 2-(cycloheptylcarbamoylamino)benzoate (CID 108990696) is ethyl 2-(cycloheptylcarbamoylamino)benzoate.
What is the SMILES notation for ethyl 2-(cycloheptylcarbamoylamino)benzoate?
The canonical SMILES for ethyl 2-(cycloheptylcarbamoylamino)benzoate is CCOC(=O)c1ccccc1NC(=O)NC1CCCCCC1.
What is the InChIKey of ethyl 2-(cycloheptylcarbamoylamino)benzoate?
The InChIKey is XLJGBIXFLXBZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-22-16(20)14-11-7-8-12-15(14)19-17(21)18-13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10H2,1H3,(H2,18,19,21).
What are the key properties of ethyl 2-(cycloheptylcarbamoylamino)benzoate?
ethyl 2-(cycloheptylcarbamoylamino)benzoate has a molecular weight of 304.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cycloheptylcarbamoylamino)benzoate is sourced from PubChem (CID 108990696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).