3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide

C16H16N2O3 — CID 135758537

IUPAC3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(/N=C/c2cc(OC)ccc2O)c1
InChIInChI=1S/C16H16N2O3/c1-17-16(20)11-4-3-5-13(8-11)18-10-12-9-14(21-2)6-7-15(12)19/h3-10,19H,1-2H3,(H,17,20)/b18-10+
InChIKeyHUBLNEBNMUVCCP-VCHYOVAHSA-N
MW284.32 g/mol
LogP2.51
Rot. Bonds4

About 3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide

3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide (PubChem CID 135758537) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide
PubChem CID135758537
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(/N=C/c2cc(OC)ccc2O)c1
InChIInChI=1S/C16H16N2O3/c1-17-16(20)11-4-3-5-13(8-11)18-10-12-9-14(21-2)6-7-15(12)19/h3-10,19H,1-2H3,(H,17,20)/b18-10+
InChIKeyHUBLNEBNMUVCCP-VCHYOVAHSA-N
XLogP2.51
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.51
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

1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 135595395
dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595457
4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol
CID 135855363
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide
CID 135758541
1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone
CID 874944
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
N-methyl-3-nitrosobenzamide
CID 89195541
4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 1040051
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 2768021
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl] 3-(4-bromophenyl)-3-oxopropanoate
CID 135906566

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide?
The IUPAC name of 3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide (CID 135758537) is 3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide?
The canonical SMILES for 3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide is CNC(=O)c1cccc(/N=C/c2cc(OC)ccc2O)c1.
What is the InChIKey of 3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide?
The InChIKey is HUBLNEBNMUVCCP-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-17-16(20)11-4-3-5-13(8-11)18-10-12-9-14(21-2)6-7-15(12)19/h3-10,19H,1-2H3,(H,17,20)/b18-10+.
What are the key properties of 3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide?
3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide has a molecular weight of 284.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide is sourced from PubChem (CID 135758537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).