2-hydroxy-N-(pentylideneamino)benzamide

C12H16N2O2 — CID 3686688

IUPAC2-hydroxy-N-(pentylideneamino)benzamide
SMILESCCCCC=NNC(=O)c1ccccc1O
InChIInChI=1S/C12H16N2O2/c1-2-3-6-9-13-14-12(16)10-7-4-5-8-11(10)15/h4-5,7-9,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyOTDJKRWJCIRSDU-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.30
Rot. Bonds5

About 2-hydroxy-N-(pentylideneamino)benzamide

2-hydroxy-N-(pentylideneamino)benzamide (PubChem CID 3686688) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-hydroxy-N-(pentylideneamino)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(pentylideneamino)benzamide
PubChem CID3686688
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-hydroxy-N-(pentylideneamino)benzamide
SMILESCCCCC=NNC(=O)c1ccccc1O
InChIInChI=1S/C12H16N2O2/c1-2-3-6-9-13-14-12(16)10-7-4-5-8-11(10)15/h4-5,7-9,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyOTDJKRWJCIRSDU-UHFFFAOYSA-N
XLogP2.30
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-hydroxy-N-(pentylideneamino)benzamide?
The IUPAC name of 2-hydroxy-N-(pentylideneamino)benzamide (CID 3686688) is 2-hydroxy-N-(pentylideneamino)benzamide.
What is the SMILES notation for 2-hydroxy-N-(pentylideneamino)benzamide?
The canonical SMILES for 2-hydroxy-N-(pentylideneamino)benzamide is CCCCC=NNC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(pentylideneamino)benzamide?
The InChIKey is OTDJKRWJCIRSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-3-6-9-13-14-12(16)10-7-4-5-8-11(10)15/h4-5,7-9,15H,2-3,6H2,1H3,(H,14,16).
What are the key properties of 2-hydroxy-N-(pentylideneamino)benzamide?
2-hydroxy-N-(pentylideneamino)benzamide has a molecular weight of 220.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(pentylideneamino)benzamide is sourced from PubChem (CID 3686688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).