methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate

C24H29NO4 — CID 100718733

IUPACmethyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OCC(C)C
InChIInChI=1S/C24H29NO4/c1-17(2)16-29-21-12-11-19(15-20(21)22(26)28-3)25-23(27)24(13-7-8-14-24)18-9-5-4-6-10-18/h4-6,9-12,15,17H,7-8,13-14,16H2,1-3H3,(H,25,27)
InChIKeyIAYXSKGIXYQCEX-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.96
Rot. Bonds7

About methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate

methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate (PubChem CID 100718733) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
PubChem CID100718733
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Namemethyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OCC(C)C
InChIInChI=1S/C24H29NO4/c1-17(2)16-29-21-12-11-19(15-20(21)22(26)28-3)25-23(27)24(13-7-8-14-24)18-9-5-4-6-10-18/h4-6,9-12,15,17H,7-8,13-14,16H2,1-3H3,(H,25,27)
InChIKeyIAYXSKGIXYQCEX-UHFFFAOYSA-N
XLogP4.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]-2-(2-methylpropoxy)benzoate
CID 100719723
methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 133246498
methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100744039
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672586
N-[4-(2-methylpropoxy)naphthalen-1-yl]-1-phenylcyclopentane-1-carboxamide
CID 100719168
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100744030
methyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100720246
1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100674556
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
methyl 5-[[(1R,3S)-1-methoxy-3-methylcyclohexanecarbonyl]amino]-2-(2-methylpropoxy)benzoate
CID 100756892

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate?
The IUPAC name of methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate (CID 100718733) is methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate?
The canonical SMILES for methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate is COC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OCC(C)C.
What is the InChIKey of methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate?
The InChIKey is IAYXSKGIXYQCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-17(2)16-29-21-12-11-19(15-20(21)22(26)28-3)25-23(27)24(13-7-8-14-24)18-9-5-4-6-10-18/h4-6,9-12,15,17H,7-8,13-14,16H2,1-3H3,(H,25,27).
What are the key properties of methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate?
methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate has a molecular weight of 395.50 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate is sourced from PubChem (CID 100718733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).