methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate

C17H19NO5 — CID 99872592

IUPACmethyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC[C@](C)(O)Cc2ccco2)cc1
InChIInChI=1S/C17H19NO5/c1-17(21,10-14-4-3-9-23-14)11-18-15(19)12-5-7-13(8-6-12)16(20)22-2/h3-9,21H,10-11H2,1-2H3,(H,18,19)/t17-/m1/s1
InChIKeyQGOQPUGIIDIMPB-QGZVFWFLSA-N
MW317.34 g/mol
LogP1.79
Rot. Bonds6

About methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate

methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate (PubChem CID 99872592) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate
PubChem CID99872592
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Namemethyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC[C@](C)(O)Cc2ccco2)cc1
InChIInChI=1S/C17H19NO5/c1-17(21,10-14-4-3-9-23-14)11-18-15(19)12-5-7-13(8-6-12)16(20)22-2/h3-9,21H,10-11H2,1-2H3,(H,18,19)/t17-/m1/s1
InChIKeyQGOQPUGIIDIMPB-QGZVFWFLSA-N
XLogP1.79
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90604997
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979
3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90605052
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide
CID 99872611
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-methyl-4-nitrobenzamide
CID 90605026
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
CID 90604967
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 99872573
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide
CID 99872555
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide
CID 90605215
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide
CID 90605187
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2,2-diphenylacetamide
CID 90605067

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate (CID 99872592) is methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NC[C@](C)(O)Cc2ccco2)cc1.
What is the InChIKey of methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate?
The InChIKey is QGOQPUGIIDIMPB-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19NO5/c1-17(21,10-14-4-3-9-23-14)11-18-15(19)12-5-7-13(8-6-12)16(20)22-2/h3-9,21H,10-11H2,1-2H3,(H,18,19)/t17-/m1/s1.
What are the key properties of methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate?
methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate has a molecular weight of 317.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate is sourced from PubChem (CID 99872592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).