ethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate

C22H25NO4 — CID 2201593

IUPACethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1
InChIInChI=1S/C22H25NO4/c1-3-27-20(24)16-6-10-18(11-7-16)23-21(25)22(14-4-5-15-22)17-8-12-19(26-2)13-9-17/h6-13H,3-5,14-15H2,1-2H3,(H,23,25)
InChIKeyPFINWMRFEFWYQL-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.32
Rot. Bonds6

About ethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate

ethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate (PubChem CID 2201593) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
PubChem CID2201593
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Nameethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1
InChIInChI=1S/C22H25NO4/c1-3-27-20(24)16-6-10-18(11-7-16)23-21(25)22(14-4-5-15-22)17-8-12-19(26-2)13-9-17/h6-13H,3-5,14-15H2,1-2H3,(H,23,25)
InChIKeyPFINWMRFEFWYQL-UHFFFAOYSA-N
XLogP4.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate (CID 2201593) is ethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1.
What is the InChIKey of ethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate?
The InChIKey is PFINWMRFEFWYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-3-27-20(24)16-6-10-18(11-7-16)23-21(25)22(14-4-5-15-22)17-8-12-19(26-2)13-9-17/h6-13H,3-5,14-15H2,1-2H3,(H,23,25).
What are the key properties of ethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate?
ethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate has a molecular weight of 367.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate is sourced from PubChem (CID 2201593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).