N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

C15H21NO3 — CID 103945735

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1COc2ccccc21
InChIInChI=1S/C15H21NO3/c1-3-15(2,8-9-17)16-14(18)12-10-19-13-7-5-4-6-11(12)13/h4-7,12,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyJCHCZWXWIRFABJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.83
Rot. Bonds5

About N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 103945735) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID103945735
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)C1COc2ccccc21
InChIInChI=1S/C15H21NO3/c1-3-15(2,8-9-17)16-14(18)12-10-19-13-7-5-4-6-11(12)13/h4-7,12,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyJCHCZWXWIRFABJ-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106164175
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-3-methylpentan-1-ol
CID 114154063
N-(1-amino-2-cyclopropylpropan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 81486749
N-(1-amino-3-methylpentan-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 106164126
N-(1-hydroxy-3-methylpentan-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106176392
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103840148
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66107336
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 99808270
N-(4-chlorobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 83179536
N-(1-hydroxy-3-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106166704

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 103945735) is N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide is CCC(C)(CCO)NC(=O)C1COc2ccccc21.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is JCHCZWXWIRFABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-15(2,8-9-17)16-14(18)12-10-19-13-7-5-4-6-11(12)13/h4-7,12,17H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 103945735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).