ethyl 3-(3-cyclohexylpropanoylamino)benzoate

C18H25NO3 — CID 889792

IUPACethyl 3-(3-cyclohexylpropanoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C18H25NO3/c1-2-22-18(21)15-9-6-10-16(13-15)19-17(20)12-11-14-7-4-3-5-8-14/h6,9-10,13-14H,2-5,7-8,11-12H2,1H3,(H,19,20)
InChIKeyVBYLHNLEKIYXJW-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.16
Rot. Bonds6

About ethyl 3-(3-cyclohexylpropanoylamino)benzoate

ethyl 3-(3-cyclohexylpropanoylamino)benzoate (PubChem CID 889792) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethyl 3-(3-cyclohexylpropanoylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(3-cyclohexylpropanoylamino)benzoate
PubChem CID889792
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nameethyl 3-(3-cyclohexylpropanoylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C18H25NO3/c1-2-22-18(21)15-9-6-10-16(13-15)19-17(20)12-11-14-7-4-3-5-8-14/h6,9-10,13-14H,2-5,7-8,11-12H2,1H3,(H,19,20)
InChIKeyVBYLHNLEKIYXJW-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-cyclohexylpropanoylamino)benzoate?
The IUPAC name of ethyl 3-(3-cyclohexylpropanoylamino)benzoate (CID 889792) is ethyl 3-(3-cyclohexylpropanoylamino)benzoate.
What is the SMILES notation for ethyl 3-(3-cyclohexylpropanoylamino)benzoate?
The canonical SMILES for ethyl 3-(3-cyclohexylpropanoylamino)benzoate is CCOC(=O)c1cccc(NC(=O)CCC2CCCCC2)c1.
What is the InChIKey of ethyl 3-(3-cyclohexylpropanoylamino)benzoate?
The InChIKey is VBYLHNLEKIYXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-2-22-18(21)15-9-6-10-16(13-15)19-17(20)12-11-14-7-4-3-5-8-14/h6,9-10,13-14H,2-5,7-8,11-12H2,1H3,(H,19,20).
What are the key properties of ethyl 3-(3-cyclohexylpropanoylamino)benzoate?
ethyl 3-(3-cyclohexylpropanoylamino)benzoate has a molecular weight of 303.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-cyclohexylpropanoylamino)benzoate is sourced from PubChem (CID 889792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).