ethyl 3-(cyclohexanecarbonylamino)benzoate

C16H21NO3 — CID 836494

IUPACethyl 3-(cyclohexanecarbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H21NO3/c1-2-20-16(19)13-9-6-10-14(11-13)17-15(18)12-7-4-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyRTWPKNCYDFKRKH-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.38
Rot. Bonds4

About ethyl 3-(cyclohexanecarbonylamino)benzoate

ethyl 3-(cyclohexanecarbonylamino)benzoate (PubChem CID 836494) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 3-(cyclohexanecarbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(cyclohexanecarbonylamino)benzoate
PubChem CID836494
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 3-(cyclohexanecarbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H21NO3/c1-2-20-16(19)13-9-6-10-14(11-13)17-15(18)12-7-4-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyRTWPKNCYDFKRKH-UHFFFAOYSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclohexanecarbonylamino)benzoate?
The IUPAC name of ethyl 3-(cyclohexanecarbonylamino)benzoate (CID 836494) is ethyl 3-(cyclohexanecarbonylamino)benzoate.
What is the SMILES notation for ethyl 3-(cyclohexanecarbonylamino)benzoate?
The canonical SMILES for ethyl 3-(cyclohexanecarbonylamino)benzoate is CCOC(=O)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of ethyl 3-(cyclohexanecarbonylamino)benzoate?
The InChIKey is RTWPKNCYDFKRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-20-16(19)13-9-6-10-14(11-13)17-15(18)12-7-4-3-5-8-12/h6,9-12H,2-5,7-8H2,1H3,(H,17,18).
What are the key properties of ethyl 3-(cyclohexanecarbonylamino)benzoate?
ethyl 3-(cyclohexanecarbonylamino)benzoate has a molecular weight of 275.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclohexanecarbonylamino)benzoate is sourced from PubChem (CID 836494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).