N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide

C15H19NO3 — CID 103751093

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO3/c1-10(2)12(7-8-17)16-15(18)14-9-11-5-3-4-6-13(11)19-14/h3-6,9-10,12,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyPAIYYEIKNVJKQB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.57
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide

N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 103751093) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
PubChem CID103751093
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO3/c1-10(2)12(7-8-17)16-15(18)14-9-11-5-3-4-6-13(11)19-14/h3-6,9-10,12,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyPAIYYEIKNVJKQB-UHFFFAOYSA-N
XLogP2.57
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-[(2-amino-3-methylbutanoyl)amino]-3-methylbutan-2-yl]-1-benzofuran-2-carboxamide
CID 69482973
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide
CID 129417735
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide
CID 63941032
5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 79247714
methyl 2-(1-benzofuran-2-carbonylamino)-3-hydroxypropanoate
CID 43405796
3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol
CID 103786549
4-hydroxybutan-2-yl 1-benzofuran-2-carboxylate
CID 91575458

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide (CID 103751093) is N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide is CC(C)C(CCO)NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is PAIYYEIKNVJKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)12(7-8-17)16-15(18)14-9-11-5-3-4-6-13(11)19-14/h3-6,9-10,12,17H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 103751093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).