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

C21H31NO5 — CID 133205414

IUPACmethyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
SMILESCCCOC1(C(=O)Nc2ccc(OC(C)CC)c(C(=O)OC)c2)CCCC1
InChIInChI=1S/C21H31NO5/c1-5-13-26-21(11-7-8-12-21)20(24)22-16-9-10-18(27-15(3)6-2)17(14-16)19(23)25-4/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,24)
InChIKeyQZCPXBXJMGFPPY-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.33
Rot. Bonds9

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

methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate (PubChem CID 133205414) has the molecular formula C21H31NO5 and a molecular weight of 377.48 g/mol. Its IUPAC name is methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
PubChem CID133205414
Molecular FormulaC21H31NO5
Molecular Weight377.48 g/mol
Exact Mass377.22
IUPAC Namemethyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
SMILESCCCOC1(C(=O)Nc2ccc(OC(C)CC)c(C(=O)OC)c2)CCCC1
InChIInChI=1S/C21H31NO5/c1-5-13-26-21(11-7-8-12-21)20(24)22-16-9-10-18(27-15(3)6-2)17(14-16)19(23)25-4/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,24)
InChIKeyQZCPXBXJMGFPPY-UHFFFAOYSA-N
XLogP4.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
CID 100766696
methyl 5-[(4-methyl-1-propoxycyclohexanecarbonyl)amino]-2-propan-2-yloxybenzoate
CID 100768405
ethyl 2-[(2S)-butan-2-yl]oxy-5-[(1-methoxycyclohexanecarbonyl)amino]benzoate
CID 100756258
methyl 2-butan-2-yloxy-5-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 133246498
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-ethoxy-5-[(1-ethoxycyclopentanecarbonyl)amino]benzoate
CID 100761596
methyl 2-ethoxy-5-[(1-ethoxycycloheptanecarbonyl)amino]benzoate
CID 100762098
N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712623
ethyl 5-[(1-ethoxycycloheptanecarbonyl)amino]-2-propan-2-yloxybenzoate
CID 100762130
methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate
CID 166300938
methyl 2-butoxy-5-[(1-methoxycycloheptanecarbonyl)amino]benzoate
CID 100756523

Frequently Asked Questions

What is the IUPAC name of methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate?
The IUPAC name of methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate (CID 133205414) is methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate?
The canonical SMILES for methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate is CCCOC1(C(=O)Nc2ccc(OC(C)CC)c(C(=O)OC)c2)CCCC1.
What is the InChIKey of methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate?
The InChIKey is QZCPXBXJMGFPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO5/c1-5-13-26-21(11-7-8-12-21)20(24)22-16-9-10-18(27-15(3)6-2)17(14-16)19(23)25-4/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,24).
What are the key properties of methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate?
methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate has a molecular weight of 377.48 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butan-2-yloxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate is sourced from PubChem (CID 133205414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).