4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide

C18H20N2O3 — CID 136762755

IUPAC4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESCCCCOc1ccc(C(=O)N/N=C\c2ccccc2O)cc1
InChIInChI=1S/C18H20N2O3/c1-2-3-12-23-16-10-8-14(9-11-16)18(22)20-19-13-15-6-4-5-7-17(15)21/h4-11,13,21H,2-3,12H2,1H3,(H,20,22)/b19-13-
InChIKeyKNYQAFIFRZPSDD-UYRXBGFRSA-N
MW312.37 g/mol
LogP3.34
Rot. Bonds7

About 4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide

4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 136762755) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID136762755
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESCCCCOc1ccc(C(=O)N/N=C\c2ccccc2O)cc1
InChIInChI=1S/C18H20N2O3/c1-2-3-12-23-16-10-8-14(9-11-16)18(22)20-19-13-15-6-4-5-7-17(15)21/h4-11,13,21H,2-3,12H2,1H3,(H,20,22)/b19-13-
InChIKeyKNYQAFIFRZPSDD-UYRXBGFRSA-N
XLogP3.34
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Related Compounds

N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477
N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92659049
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide
CID 621481
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 6047587
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 6163914
4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4930536
4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
CID 3595179
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 133169392
4-propoxy-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 133169686

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide (CID 136762755) is 4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide is CCCCOc1ccc(C(=O)N/N=C\c2ccccc2O)cc1.
What is the InChIKey of 4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is KNYQAFIFRZPSDD-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-3-12-23-16-10-8-14(9-11-16)18(22)20-19-13-15-6-4-5-7-17(15)21/h4-11,13,21H,2-3,12H2,1H3,(H,20,22)/b19-13-.
What are the key properties of 4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide?
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136762755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).