N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide

C15H17NO3 — CID 82121169

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H17NO3/c1-15(2,10-17)16-14(18)13-9-8-12(19-13)11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3,(H,16,18)
InChIKeyVAESWXKTMWRREX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.45
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide (PubChem CID 82121169) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide
PubChem CID82121169
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H17NO3/c1-15(2,10-17)16-14(18)13-9-8-12(19-13)11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3,(H,16,18)
InChIKeyVAESWXKTMWRREX-UHFFFAOYSA-N
XLogP2.45
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide (CID 82121169) is N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide is CC(C)(CO)NC(=O)c1ccc(-c2ccccc2)o1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide?
The InChIKey is VAESWXKTMWRREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2,10-17)16-14(18)13-9-8-12(19-13)11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.45, 4 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)-5-phenylfuran-2-carboxamide is sourced from PubChem (CID 82121169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).