N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide

C16H19NO4 — CID 99872555

IUPACN-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide
SMILESC[C@](O)(CNC(=O)COc1ccccc1)Cc1ccco1
InChIInChI=1S/C16H19NO4/c1-16(19,10-14-8-5-9-20-14)12-17-15(18)11-21-13-6-3-2-4-7-13/h2-9,19H,10-12H2,1H3,(H,17,18)/t16-/m1/s1
InChIKeyMZPHXWDOMLCPIV-MRXNPFEDSA-N
MW289.33 g/mol
LogP1.77
Rot. Bonds7

About N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide

N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide (PubChem CID 99872555) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide
PubChem CID99872555
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide
SMILESC[C@](O)(CNC(=O)COc1ccccc1)Cc1ccco1
InChIInChI=1S/C16H19NO4/c1-16(19,10-14-8-5-9-20-14)12-17-15(18)11-21-13-6-3-2-4-7-13/h2-9,19H,10-12H2,1H3,(H,17,18)/t16-/m1/s1
InChIKeyMZPHXWDOMLCPIV-MRXNPFEDSA-N
XLogP1.77
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
CID 90604967
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 66169825
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2,2-diphenylacetamide
CID 90605067
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate
CID 99872592
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979
N-[1-(furan-2-yl)propan-2-yl]-2-phenoxyacetamide
CID 47148392
N-[2,2-dimethyl-3-(methylamino)propyl]-2-phenoxyacetamide
CID 115267300
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylphenoxy)acetamide
CID 121085820
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide
CID 90605215

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide (CID 99872555) is N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide is C[C@](O)(CNC(=O)COc1ccccc1)Cc1ccco1.
What is the InChIKey of N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide?
The InChIKey is MZPHXWDOMLCPIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NO4/c1-16(19,10-14-8-5-9-20-14)12-17-15(18)11-21-13-6-3-2-4-7-13/h2-9,19H,10-12H2,1H3,(H,17,18)/t16-/m1/s1.
What are the key properties of N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide?
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide has a molecular weight of 289.33 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide is sourced from PubChem (CID 99872555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).