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

C22H25NO5 — CID 100744030

IUPACmethyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)ccc1OC
InChIInChI=1S/C22H25NO5/c1-26-17-9-6-15(7-10-17)22(12-4-5-13-22)21(25)23-16-8-11-19(27-2)18(14-16)20(24)28-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,25)
InChIKeyYSAQUKCVNQWWJO-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.94
Rot. Bonds6

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

methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate (PubChem CID 100744030) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
PubChem CID100744030
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Namemethyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)ccc1OC
InChIInChI=1S/C22H25NO5/c1-26-17-9-6-15(7-10-17)22(12-4-5-13-22)21(25)23-16-8-11-19(27-2)18(14-16)20(24)28-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,25)
InChIKeyYSAQUKCVNQWWJO-UHFFFAOYSA-N
XLogP3.94
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100744039
methyl 2-[(2R)-butan-2-yl]oxy-5-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100747453
ethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745600
methyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100720246
methyl 2-[(2R)-butan-2-yl]oxy-5-[[4-(4-methoxyphenyl)oxane-4-carbonyl]amino]benzoate
CID 100750107
methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate
CID 100747148
methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 100718733
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668870
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 133246498
methyl 2-ethoxy-5-[[1-(4-nitrophenyl)cyclohexanecarbonyl]amino]benzoate
CID 100744886

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate (CID 100744030) is methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate is COC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate?
The InChIKey is YSAQUKCVNQWWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-26-17-9-6-15(7-10-17)22(12-4-5-13-22)21(25)23-16-8-11-19(27-2)18(14-16)20(24)28-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,25).
What are the key properties of methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate?
methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate has a molecular weight of 383.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate is sourced from PubChem (CID 100744030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).