[5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate

C22H23NO4 — CID 10090237

IUPAC[5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate
SMILESCN(C)Cc1ccc(COC(=O)C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C22H23NO4/c1-23(2)15-19-13-14-20(27-19)16-26-21(24)22(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,25H,15-16H2,1-2H3
InChIKeyMIWJUNIETFMFNN-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.32
Rot. Bonds7

About [5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate

[5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate (PubChem CID 10090237) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate
PubChem CID10090237
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate
SMILESCN(C)Cc1ccc(COC(=O)C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C22H23NO4/c1-23(2)15-19-13-14-20(27-19)16-26-21(24)22(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,25H,15-16H2,1-2H3
InChIKeyMIWJUNIETFMFNN-UHFFFAOYSA-N
XLogP3.32
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-cyclohexyl-[5-[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]furan-2-yl]-phenylmethanol iodide
CID 44627857
5-[4-(2-Furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid
CID 2812276
(3S)-3-[4-[[5-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)furan-2-yl]methoxy]phenyl]hex-4-ynoic acid
CID 68194476
Sagandipine
CID 3058740
Methyl 4-(5-(((2-hydroxy-2-phenylethyl)amino)methyl)furan-2-yl)benzoate hydrochloride
CID 6602747
Ethyl 4-benzyl-1-{[5-(methoxymethyl)-2-furyl]methyl}-4-piperidinecarboxylate
CID 16188666
(1-{[5-(Hydroxymethyl)-2-furyl]methyl}-3-piperidinyl)[4-(trifluoromethyl)phenyl]methanone
CID 16190587
5-(2-Methylpropyl)-4-(morpholin-4-ylmethyl)furan-2-carboxylic acid;hydrochloride
CID 16195050
Ethyl 1-[5-(methoxymethyl)-2-furoyl]-3-(2-methylbenzyl)-3-piperidinecarboxylate
CID 24817220
[5-(1-Methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol
CID 44627739
Cyclohexyl-[5-(1-methylpyrrolidin-2-yl)furan-2-yl]-phenylmethanol
CID 44627740
[5-(1,1-Dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide
CID 44627743

Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate (CID 10090237) is [5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate is CN(C)Cc1ccc(COC(=O)C(O)(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of [5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is MIWJUNIETFMFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-23(2)15-19-13-14-20(27-19)16-26-21(24)22(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,25H,15-16H2,1-2H3.
What are the key properties of [5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate?
[5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 365.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]furan-2-yl]methyl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 10090237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).