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

C24H33NO3 — CID 10407630

IUPAC[5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate
SMILESCC(C)N(C)Cc1ccc(COC(=O)C(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C24H33NO3/c1-18(2)25(3)16-21-14-15-22(28-21)17-27-24(26)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,14-15,18,20,23H,5,8-9,12-13,16-17H2,1-3H3
InChIKeyYXYGRCXVYKPQKN-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.53
Rot. Bonds8

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

[5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate (PubChem CID 10407630) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is [5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate.

Molecular Properties

Compound Name[5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate
PubChem CID10407630
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name[5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate
SMILESCC(C)N(C)Cc1ccc(COC(=O)C(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C24H33NO3/c1-18(2)25(3)16-21-14-15-22(28-21)17-27-24(26)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,14-15,18,20,23H,5,8-9,12-13,16-17H2,1-3H3
InChIKeyYXYGRCXVYKPQKN-UHFFFAOYSA-N
XLogP5.53
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium bromide
CID 21149401
2,2,2-trichloroethyl 2-cyclohexyl-2-phenylacetate
CID 132507393
2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol
CID 175204467
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
(2R)-2-cyclohexyl-2-phenylacetate
CID 6931336
[5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 10094739
2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-phenylacetate;hydrochloride
CID 54609005
methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate
CID 125106455
1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
CID 118698010
(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
CID 125465712
[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
CID 158475695
2-cyclohexyl-2-phenylethanethioamide
CID 82082945

Frequently Asked Questions

What is the IUPAC name of [5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate?
The IUPAC name of [5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate (CID 10407630) is [5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate.
What is the SMILES notation for [5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate?
The canonical SMILES for [5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate is CC(C)N(C)Cc1ccc(COC(=O)C(c2ccccc2)C2CCCCC2)o1.
What is the InChIKey of [5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate?
The InChIKey is YXYGRCXVYKPQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-18(2)25(3)16-21-14-15-22(28-21)17-27-24(26)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,14-15,18,20,23H,5,8-9,12-13,16-17H2,1-3H3.
What are the key properties of [5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate?
[5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate has a molecular weight of 383.53 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate is sourced from PubChem (CID 10407630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).