[3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate

C27H31N3O6 — CID 86614325

IUPAC[3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate
SMILESCCOc1cc(C2CC(OC(C)=O)CCC2NC(=O)c2ccc(-c3noc(C)n3)cc2)ccc1OC
InChIInChI=1S/C27H31N3O6/c1-5-34-25-14-20(10-13-24(25)33-4)22-15-21(35-17(3)31)11-12-23(22)29-27(32)19-8-6-18(7-9-19)26-28-16(2)36-30-26/h6-10,13-14,21-23H,5,11-12,15H2,1-4H3,(H,29,32)
InChIKeyQBCRHXHWVVBZJH-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.45
Rot. Bonds8

About [3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate

[3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate (PubChem CID 86614325) has the molecular formula C27H31N3O6 and a molecular weight of 493.56 g/mol. Its IUPAC name is [3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate.

Molecular Properties

Compound Name[3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate
PubChem CID86614325
Molecular FormulaC27H31N3O6
Molecular Weight493.56 g/mol
Exact Mass493.22
IUPAC Name[3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate
SMILESCCOc1cc(C2CC(OC(C)=O)CCC2NC(=O)c2ccc(-c3noc(C)n3)cc2)ccc1OC
InChIInChI=1S/C27H31N3O6/c1-5-34-25-14-20(10-13-24(25)33-4)22-15-21(35-17(3)31)11-12-23(22)29-27(32)19-8-6-18(7-9-19)26-28-16(2)36-30-26/h6-10,13-14,21-23H,5,11-12,15H2,1-4H3,(H,29,32)
InChIKeyQBCRHXHWVVBZJH-UHFFFAOYSA-N
XLogP4.45
TPSA112.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate with MolForge

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Related Compounds

[(1R,3R,4R)-3-[3-(2,2-difluoroethoxy)-4-methoxyphenyl]-4-[[4-(2-ethyltetrazol-5-yl)benzoyl]amino]cyclohexyl] acetate
CID 90729718
[3-(3-ethoxy-4-methoxyphenyl)-4-nitrocyclohexyl] acetate
CID 67022727
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide
CID 18621298
N-[(2S,3S)-3-(3,4-diethoxyphenyl)-1-methylpiperidin-2-yl]-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide
CID 20637944
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
CID 18406774
N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide
CID 20637950
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 6492243
[(3S,4R)-3-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-4-yl]urea
CID 163333315
methyl 2-[4-[[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]carbamoyl]phenyl]acetate
CID 54210068

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate?
The IUPAC name of [3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate (CID 86614325) is [3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate.
What is the SMILES notation for [3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate?
The canonical SMILES for [3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate is CCOc1cc(C2CC(OC(C)=O)CCC2NC(=O)c2ccc(-c3noc(C)n3)cc2)ccc1OC.
What is the InChIKey of [3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate?
The InChIKey is QBCRHXHWVVBZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O6/c1-5-34-25-14-20(10-13-24(25)33-4)22-15-21(35-17(3)31)11-12-23(22)29-27(32)19-8-6-18(7-9-19)26-28-16(2)36-30-26/h6-10,13-14,21-23H,5,11-12,15H2,1-4H3,(H,29,32).
What are the key properties of [3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate?
[3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate has a molecular weight of 493.56 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethoxy-4-methoxyphenyl)-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]cyclohexyl] acetate is sourced from PubChem (CID 86614325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).