methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate

C23H27NO5 — CID 100744039

IUPACmethyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
SMILESCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C(=O)OC
InChIInChI=1S/C23H27NO5/c1-4-29-20-12-9-17(15-19(20)21(25)28-3)24-22(26)23(13-5-6-14-23)16-7-10-18(27-2)11-8-16/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,26)
InChIKeyISRXNUKYFZEWST-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.33
Rot. Bonds7

About methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate

methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate (PubChem CID 100744039) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
PubChem CID100744039
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Namemethyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
SMILESCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C(=O)OC
InChIInChI=1S/C23H27NO5/c1-4-29-20-12-9-17(15-19(20)21(25)28-3)24-22(26)23(13-5-6-14-23)16-7-10-18(27-2)11-8-16/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,26)
InChIKeyISRXNUKYFZEWST-UHFFFAOYSA-N
XLogP4.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100744030
methyl 2-[(2R)-butan-2-yl]oxy-5-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100747453
methyl 2-ethoxy-5-[[1-(4-nitrophenyl)cyclohexanecarbonyl]amino]benzoate
CID 100744886
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
ethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745600
methyl 2-ethoxy-5-[(1-ethoxycyclopentanecarbonyl)amino]benzoate
CID 100761596
methyl 2-ethoxy-5-[(1-ethoxycycloheptanecarbonyl)amino]benzoate
CID 100762098
methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 100718733
methyl 2-[(2R)-butan-2-yl]oxy-5-[[4-(4-methoxyphenyl)oxane-4-carbonyl]amino]benzoate
CID 100750107
methyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100720246
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668241

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate (CID 100744039) is methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate is CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C(=O)OC.
What is the InChIKey of methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate?
The InChIKey is ISRXNUKYFZEWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-4-29-20-12-9-17(15-19(20)21(25)28-3)24-22(26)23(13-5-6-14-23)16-7-10-18(27-2)11-8-16/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,26).
What are the key properties of methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate?
methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate has a molecular weight of 397.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate is sourced from PubChem (CID 100744039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).