ethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate

C24H28FNO3 — CID 67993199

IUPACethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)Cc2cc(-c3ccc(F)cc3)ccc2C)CCCCC1
InChIInChI=1S/C24H28FNO3/c1-3-29-23(28)24(13-5-4-6-14-24)26-22(27)16-20-15-19(8-7-17(20)2)18-9-11-21(25)12-10-18/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,26,27)
InChIKeyMVMQAUCQGFMXQR-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.73
Rot. Bonds6

About ethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate

ethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 67993199) has the molecular formula C24H28FNO3 and a molecular weight of 397.49 g/mol. Its IUPAC name is ethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate
PubChem CID67993199
Molecular FormulaC24H28FNO3
Molecular Weight397.49 g/mol
Exact Mass397.21
IUPAC Nameethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)Cc2cc(-c3ccc(F)cc3)ccc2C)CCCCC1
InChIInChI=1S/C24H28FNO3/c1-3-29-23(28)24(13-5-4-6-14-24)26-22(27)16-20-15-19(8-7-17(20)2)18-9-11-21(25)12-10-18/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,26,27)
InChIKeyMVMQAUCQGFMXQR-UHFFFAOYSA-N
XLogP4.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate (CID 67993199) is ethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1(NC(=O)Cc2cc(-c3ccc(F)cc3)ccc2C)CCCCC1.
What is the InChIKey of ethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is MVMQAUCQGFMXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO3/c1-3-29-23(28)24(13-5-4-6-14-24)26-22(27)16-20-15-19(8-7-17(20)2)18-9-11-21(25)12-10-18/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,26,27).
What are the key properties of ethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate?
ethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 397.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-[5-(4-fluorophenyl)-2-methylphenyl]acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 67993199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).