2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide

C23H19NO5 — CID 168893560

IUPAC2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(/C=C3\Oc4ccccc4C3=O)o2)ccc1O
InChIInChI=1S/C23H19NO5/c1-13(2)24-23(27)17-11-14(7-9-18(17)25)19-10-8-15(28-19)12-21-22(26)16-5-3-4-6-20(16)29-21/h3-13,25H,1-2H3,(H,24,27)/b21-12-
InChIKeyKCMSNCOIVWTGFT-MTJSOVHGSA-N
MW389.41 g/mol
LogP4.41
Rot. Bonds4

About 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide

2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide (PubChem CID 168893560) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide
PubChem CID168893560
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(/C=C3\Oc4ccccc4C3=O)o2)ccc1O
InChIInChI=1S/C23H19NO5/c1-13(2)24-23(27)17-11-14(7-9-18(17)25)19-10-8-15(28-19)12-21-22(26)16-5-3-4-6-20(16)29-21/h3-13,25H,1-2H3,(H,24,27)/b21-12-
InChIKeyKCMSNCOIVWTGFT-MTJSOVHGSA-N
XLogP4.41
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_I(6)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide (CID 168893560) is 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(-c2ccc(/C=C3\Oc4ccccc4C3=O)o2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide?
The InChIKey is KCMSNCOIVWTGFT-MTJSOVHGSA-N. The full InChI is InChI=1S/C23H19NO5/c1-13(2)24-23(27)17-11-14(7-9-18(17)25)19-10-8-15(28-19)12-21-22(26)16-5-3-4-6-20(16)29-21/h3-13,25H,1-2H3,(H,24,27)/b21-12-.
What are the key properties of 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide?
2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide has a molecular weight of 389.41 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 168893560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).