N-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide

C18H22N2O3 — CID 25237582

IUPACN-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide
SMILESCC(C)c1cc(C(=O)N/N=C/c2ccoc2)c(O)c(C(C)C)c1
InChIInChI=1S/C18H22N2O3/c1-11(2)14-7-15(12(3)4)17(21)16(8-14)18(22)20-19-9-13-5-6-23-10-13/h5-12,21H,1-4H3,(H,20,22)/b19-9+
InChIKeyUIHUDCHJXXRNET-DJKKODMXSA-N
MW314.38 g/mol
LogP4.00
Rot. Bonds5

About N-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide

N-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide (PubChem CID 25237582) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide
PubChem CID25237582
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide
SMILESCC(C)c1cc(C(=O)N/N=C/c2ccoc2)c(O)c(C(C)C)c1
InChIInChI=1S/C18H22N2O3/c1-11(2)14-7-15(12(3)4)17(21)16(8-14)18(22)20-19-9-13-5-6-23-10-13/h5-12,21H,1-4H3,(H,20,22)/b19-9+
InChIKeyUIHUDCHJXXRNET-DJKKODMXSA-N
XLogP4.00
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide?
The IUPAC name of N-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide (CID 25237582) is N-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide.
What is the SMILES notation for N-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide?
The canonical SMILES for N-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide is CC(C)c1cc(C(=O)N/N=C/c2ccoc2)c(O)c(C(C)C)c1.
What is the InChIKey of N-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide?
The InChIKey is UIHUDCHJXXRNET-DJKKODMXSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11(2)14-7-15(12(3)4)17(21)16(8-14)18(22)20-19-9-13-5-6-23-10-13/h5-12,21H,1-4H3,(H,20,22)/b19-9+.
What are the key properties of N-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide?
N-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide has a molecular weight of 314.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-3-ylmethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide is sourced from PubChem (CID 25237582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).