[5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

C27H37NO4 — CID 10094739

IUPAC[5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
SMILESCN(Cc1ccc(COC(=O)C(O)(c2ccccc2)C2CCCCC2)o1)C1CCCCC1
InChIInChI=1S/C27H37NO4/c1-28(23-15-9-4-10-16-23)19-24-17-18-25(32-24)20-31-26(29)27(30,21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2,5-6,11-12,17-18,22-23,30H,3-4,7-10,13-16,19-20H2,1H3
InChIKeySUMSQYYVIYCYJK-UHFFFAOYSA-N
MW439.60 g/mol
LogP5.56
Rot. Bonds8

About [5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

[5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate (PubChem CID 10094739) has the molecular formula C27H37NO4 and a molecular weight of 439.60 g/mol. Its IUPAC name is [5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
PubChem CID10094739
Molecular FormulaC27H37NO4
Molecular Weight439.60 g/mol
Exact Mass439.27
IUPAC Name[5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
SMILESCN(Cc1ccc(COC(=O)C(O)(c2ccccc2)C2CCCCC2)o1)C1CCCCC1
InChIInChI=1S/C27H37NO4/c1-28(23-15-9-4-10-16-23)19-24-17-18-25(32-24)20-31-26(29)27(30,21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2,5-6,11-12,17-18,22-23,30H,3-4,7-10,13-16,19-20H2,1H3
InChIKeySUMSQYYVIYCYJK-UHFFFAOYSA-N
XLogP5.56
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate with MolForge

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Launch Full Analysis

Related Compounds

4-(dimethylamino)but-2-ynyl (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 15516893
2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 70868092
but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 20689589
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
3-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxypropyl-diethyl-methylazanium
CID 3096350
4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 4634
azane;4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69112346
[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]methyl (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 76956725
4-methylsulfonyloxybut-2-ynyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 59397490
3-[(2R)-2-cyclohexyl-2-hydroxy-2-phenylacetyl]oxypropyl-triethylazanium
CID 7377908
4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;ethanol
CID 22348527
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992

Frequently Asked Questions

What is the IUPAC name of [5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate?
The IUPAC name of [5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate (CID 10094739) is [5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate?
The canonical SMILES for [5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate is CN(Cc1ccc(COC(=O)C(O)(c2ccccc2)C2CCCCC2)o1)C1CCCCC1.
What is the InChIKey of [5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate?
The InChIKey is SUMSQYYVIYCYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO4/c1-28(23-15-9-4-10-16-23)19-24-17-18-25(32-24)20-31-26(29)27(30,21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2,5-6,11-12,17-18,22-23,30H,3-4,7-10,13-16,19-20H2,1H3.
What are the key properties of [5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate?
[5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate has a molecular weight of 439.60 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 10094739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).