N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide

C17H17NO4 — CID 99872573

IUPACN-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cc2ccccc2o1)Cc1ccco1
InChIInChI=1S/C17H17NO4/c1-17(20,10-13-6-4-8-21-13)11-18-16(19)15-9-12-5-2-3-7-14(12)22-15/h2-9,20H,10-11H2,1H3,(H,18,19)/t17-/m1/s1
InChIKeyKZOLMKSCHSCZCE-QGZVFWFLSA-N
MW299.33 g/mol
LogP2.75
Rot. Bonds5

About N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide

N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide (PubChem CID 99872573) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
PubChem CID99872573
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cc2ccccc2o1)Cc1ccco1
InChIInChI=1S/C17H17NO4/c1-17(20,10-13-6-4-8-21-13)11-18-16(19)15-9-12-5-2-3-7-14(12)22-15/h2-9,20H,10-11H2,1H3,(H,18,19)/t17-/m1/s1
InChIKeyKZOLMKSCHSCZCE-QGZVFWFLSA-N
XLogP2.75
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 103839648
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide
CID 71787283
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 52907053
N-(4-bromo-2,2-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 106143875
3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90605052
N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 17100606
methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate
CID 99872592
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide
CID 99872590
4-(dimethylamino)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90604997
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide
CID 99872611

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide (CID 99872573) is N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide is C[C@](O)(CNC(=O)c1cc2ccccc2o1)Cc1ccco1.
What is the InChIKey of N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide?
The InChIKey is KZOLMKSCHSCZCE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO4/c1-17(20,10-13-6-4-8-21-13)11-18-16(19)15-9-12-5-2-3-7-14(12)22-15/h2-9,20H,10-11H2,1H3,(H,18,19)/t17-/m1/s1.
What are the key properties of N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide?
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.75, 5 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]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 99872573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).