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

C24H29NO4 — CID 133246498

IUPACmethyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
SMILESCCC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(=O)OC
InChIInChI=1S/C24H29NO4/c1-4-17(2)29-21-13-12-19(16-20(21)22(26)28-3)25-23(27)24(14-8-9-15-24)18-10-6-5-7-11-18/h5-7,10-13,16-17H,4,8-9,14-15H2,1-3H3,(H,25,27)
InChIKeyHQYURKKTOBQSHU-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.10
Rot. Bonds7

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

methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate (PubChem CID 133246498) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
PubChem CID133246498
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Namemethyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
SMILESCCC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(=O)OC
InChIInChI=1S/C24H29NO4/c1-4-17(2)29-21-13-12-19(16-20(21)22(26)28-3)25-23(27)24(14-8-9-15-24)18-10-6-5-7-11-18/h5-7,10-13,16-17H,4,8-9,14-15H2,1-3H3,(H,25,27)
InChIKeyHQYURKKTOBQSHU-UHFFFAOYSA-N
XLogP5.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate with MolForge

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Related Compounds

methyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100720246
methyl 2-[(2R)-butan-2-yl]oxy-5-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100747453
methyl 2-(2-methylpropoxy)-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 100718733
ethyl 2-butan-2-yloxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
CID 133229622
methyl 2-[(2R)-butan-2-yl]oxy-5-[[4-(3-methylphenyl)oxane-4-carbonyl]amino]benzoate
CID 100748343
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-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]benzoate
CID 100749064
ethyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-chlorophenyl)cyclohexanecarbonyl]amino]benzoate
CID 100746593
methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
CID 133205414
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-4-phenyloxane-4-carboxamide
CID 100679396
N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 133187939
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664966

Frequently Asked Questions

What is the IUPAC name of methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate?
The IUPAC name of methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate (CID 133246498) is methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate?
The canonical SMILES for methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate is CCC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(=O)OC.
What is the InChIKey of methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate?
The InChIKey is HQYURKKTOBQSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-4-17(2)29-21-13-12-19(16-20(21)22(26)28-3)25-23(27)24(14-8-9-15-24)18-10-6-5-7-11-18/h5-7,10-13,16-17H,4,8-9,14-15H2,1-3H3,(H,25,27).
What are the key properties of methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate?
methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate has a molecular weight of 395.50 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate is sourced from PubChem (CID 133246498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).