N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

C15H21NO3 — CID 43500722

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Oc2c(C(=O)NC(C)(C)CO)cccc2C1C
InChIInChI=1S/C15H21NO3/c1-9-10(2)19-13-11(9)6-5-7-12(13)14(18)16-15(3,4)8-17/h5-7,9-10,17H,8H2,1-4H3,(H,16,18)
InChIKeyYHRMZBZWJBCKSD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 43500722) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID43500722
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Oc2c(C(=O)NC(C)(C)CO)cccc2C1C
InChIInChI=1S/C15H21NO3/c1-9-10(2)19-13-11(9)6-5-7-12(13)14(18)16-15(3,4)8-17/h5-7,9-10,17H,8H2,1-4H3,(H,16,18)
InChIKeyYHRMZBZWJBCKSD-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 43393629
2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18097619
2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18227470
2-(dimethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 110463483
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide
CID 110000875
(2S,3S)-2,3-dimethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 100837272
2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide
CID 141058032
(2R,3R)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 41236905
(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 42897286
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 61209365
2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 114559568
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 43390484

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 43500722) is N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is CC1Oc2c(C(=O)NC(C)(C)CO)cccc2C1C.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is YHRMZBZWJBCKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-10(2)19-13-11(9)6-5-7-12(13)14(18)16-15(3,4)8-17/h5-7,9-10,17H,8H2,1-4H3,(H,16,18).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 43500722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).