1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone

C20H25NO2 — CID 110656364

IUPAC1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone
SMILESCc1cc(C(=O)COc2ccccc2)c(C)n1C1CCCCC1
InChIInChI=1S/C20H25NO2/c1-15-13-19(16(2)21(15)17-9-5-3-6-10-17)20(22)14-23-18-11-7-4-8-12-18/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3
InChIKeyRXTKSDUSNXVKDN-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.87
Rot. Bonds5

About 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone

1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone (PubChem CID 110656364) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone
PubChem CID110656364
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone
SMILESCc1cc(C(=O)COc2ccccc2)c(C)n1C1CCCCC1
InChIInChI=1S/C20H25NO2/c1-15-13-19(16(2)21(15)17-9-5-3-6-10-17)20(22)14-23-18-11-7-4-8-12-18/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3
InChIKeyRXTKSDUSNXVKDN-UHFFFAOYSA-N
XLogP4.87
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-[3-(dimethylamino)phenoxy]ethanone
CID 110656374
2-(3-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110656226
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239833
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-phenoxybenzoate
CID 7859771
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2-phenylethylamino)ethanone
CID 110655097
2-(4-chlorophenoxy)-1-[1-[(3R)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 7816192
methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate
CID 55962259
2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110655093
4-[2-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]benzamide
CID 42900532
1-[4-[2-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 8604729
1-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 26050918
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone?
The IUPAC name of 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone (CID 110656364) is 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone is Cc1cc(C(=O)COc2ccccc2)c(C)n1C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone?
The InChIKey is RXTKSDUSNXVKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-13-19(16(2)21(15)17-9-5-3-6-10-17)20(22)14-23-18-11-7-4-8-12-18/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3.
What are the key properties of 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone?
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone has a molecular weight of 311.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone is sourced from PubChem (CID 110656364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).