N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide

C15H20N2O3 — CID 103839648

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H20N2O3/c1-15(19,10-17(2)3)9-16-14(18)13-8-11-6-4-5-7-12(11)20-13/h4-8,19H,9-10H2,1-3H3,(H,16,18)
InChIKeyXPOFGWDYFNGWTP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.48
Rot. Bonds5

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide (PubChem CID 103839648) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
PubChem CID103839648
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H20N2O3/c1-15(19,10-17(2)3)9-16-14(18)13-8-11-6-4-5-7-12(11)20-13/h4-8,19H,9-10H2,1-3H3,(H,16,18)
InChIKeyXPOFGWDYFNGWTP-UHFFFAOYSA-N
XLogP1.48
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide
CID 71787283
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 52907053
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 99872573
N-(4-bromo-2,2-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 106143875
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide
CID 75387478
N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide
CID 97239979
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 95367357
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide
CID 90599093

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide (CID 103839648) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide is CN(C)CC(C)(O)CNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide?
The InChIKey is XPOFGWDYFNGWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(19,10-17(2)3)9-16-14(18)13-8-11-6-4-5-7-12(11)20-13/h4-8,19H,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 103839648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).