3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide

C18H20N2O3 — CID 135758541

IUPAC3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide
SMILESCCCOc1ccc(/C=N/c2cccc(C(=O)NC)c2)c(O)c1
InChIInChI=1S/C18H20N2O3/c1-3-9-23-16-8-7-14(17(21)11-16)12-20-15-6-4-5-13(10-15)18(22)19-2/h4-8,10-12,21H,3,9H2,1-2H3,(H,19,22)/b20-12+
InChIKeyGYRTZYNJODFGAS-UDWIEESQSA-N
MW312.37 g/mol
LogP3.29
Rot. Bonds6

About 3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide

3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide (PubChem CID 135758541) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide
PubChem CID135758541
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide
SMILESCCCOc1ccc(/C=N/c2cccc(C(=O)NC)c2)c(O)c1
InChIInChI=1S/C18H20N2O3/c1-3-9-23-16-8-7-14(17(21)11-16)12-20-15-6-4-5-13(10-15)18(22)19-2/h4-8,10-12,21H,3,9H2,1-2H3,(H,19,22)/b20-12+
InChIKeyGYRTZYNJODFGAS-UDWIEESQSA-N
XLogP3.29
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide
CID 135758537
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol
CID 135720913
5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide
CID 135758646
5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135595128
5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267
2-[(4-nitrophenyl)iminomethyl]-5-propoxyphenol
CID 135609186
[3-hydroxy-4-(pyridin-3-yliminomethyl)phenyl] 4-propoxybenzoate
CID 136828288
2-[[4-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-octadecoxyphenol
CID 136722312
2-(1,3-benzodioxol-5-yliminomethyl)-5-propoxyphenol
CID 135787703
5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol
CID 135704199

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide?
The IUPAC name of 3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide (CID 135758541) is 3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide?
The canonical SMILES for 3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide is CCCOc1ccc(/C=N/c2cccc(C(=O)NC)c2)c(O)c1.
What is the InChIKey of 3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide?
The InChIKey is GYRTZYNJODFGAS-UDWIEESQSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-9-23-16-8-7-14(17(21)11-16)12-20-15-6-4-5-13(10-15)18(22)19-2/h4-8,10-12,21H,3,9H2,1-2H3,(H,19,22)/b20-12+.
What are the key properties of 3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide?
3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide is sourced from PubChem (CID 135758541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).