ethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate

C18H24N2O4 — CID 2293194

IUPACethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CNC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H24N2O4/c1-2-24-18(23)14-9-6-10-15(11-14)20-16(21)12-19-17(22)13-7-4-3-5-8-13/h6,9-11,13H,2-5,7-8,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyRIEZVDXCCHRFDF-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.50
Rot. Bonds6

About ethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate

ethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate (PubChem CID 2293194) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate
PubChem CID2293194
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CNC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H24N2O4/c1-2-24-18(23)14-9-6-10-15(11-14)20-16(21)12-19-17(22)13-7-4-3-5-8-13/h6,9-11,13H,2-5,7-8,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyRIEZVDXCCHRFDF-UHFFFAOYSA-N
XLogP2.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate (CID 2293194) is ethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)CNC(=O)C2CCCCC2)c1.
What is the InChIKey of ethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate?
The InChIKey is RIEZVDXCCHRFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-24-18(23)14-9-6-10-15(11-14)20-16(21)12-19-17(22)13-7-4-3-5-8-13/h6,9-11,13H,2-5,7-8,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of ethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate?
ethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate has a molecular weight of 332.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(cyclohexanecarbonylamino)acetyl]amino]benzoate is sourced from PubChem (CID 2293194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).