4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide

C17H18N2O3 — CID 4300474

IUPAC4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1ccccc1C=NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O3/c1-2-11-22-16-6-4-3-5-14(16)12-18-19-17(21)13-7-9-15(20)10-8-13/h3-10,12,20H,2,11H2,1H3,(H,19,21)
InChIKeyUVFMJPZLNVAHCN-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.94
Rot. Bonds6

About 4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide

4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide (PubChem CID 4300474) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
PubChem CID4300474
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1ccccc1C=NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O3/c1-2-11-22-16-6-4-3-5-14(16)12-18-19-17(21)13-7-9-15(20)10-8-13/h3-10,12,20H,2,11H2,1H3,(H,19,21)
InChIKeyUVFMJPZLNVAHCN-UHFFFAOYSA-N
XLogP2.94
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.94
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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Related Compounds

N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 684020
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 2306178
N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 133169392
4-propoxy-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 133169686
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92659049
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide (CID 4300474) is 4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide is CCCOc1ccccc1C=NNC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is UVFMJPZLNVAHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-11-22-16-6-4-3-5-14(16)12-18-19-17(21)13-7-9-15(20)10-8-13/h3-10,12,20H,2,11H2,1H3,(H,19,21).
What are the key properties of 4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide?
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4300474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).