N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide

C17H18N2O3 — CID 3365484

IUPACN-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide
SMILESCOc1cc(/C=N/CCNC(=O)c2ccccc2)ccc1O
InChIInChI=1S/C17H18N2O3/c1-22-16-11-13(7-8-15(16)20)12-18-9-10-19-17(21)14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3,(H,19,21)/b18-12+
InChIKeyLTKBHZIVNYKRHI-LDADJPATSA-N
MW298.34 g/mol
LogP2.25
Rot. Bonds6

About N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide

N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide (PubChem CID 3365484) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide
PubChem CID3365484
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide
SMILESCOc1cc(/C=N/CCNC(=O)c2ccccc2)ccc1O
InChIInChI=1S/C17H18N2O3/c1-22-16-11-13(7-8-15(16)20)12-18-9-10-19-17(21)14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3,(H,19,21)/b18-12+
InChIKeyLTKBHZIVNYKRHI-LDADJPATSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol
CID 136828234
N-[(2R)-1-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 136861943
2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 101344836
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 135551685
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135615922
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(phenylsulfanylmethyl)benzamide
CID 137172347
4-chloro-N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 5061249
2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
CID 5146322
N-benzyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 137063527
3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid
CID 68549525
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide?
The IUPAC name of N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide (CID 3365484) is N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide?
The canonical SMILES for N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide is COc1cc(/C=N/CCNC(=O)c2ccccc2)ccc1O.
What is the InChIKey of N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide?
The InChIKey is LTKBHZIVNYKRHI-LDADJPATSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-16-11-13(7-8-15(16)20)12-18-9-10-19-17(21)14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3,(H,19,21)/b18-12+.
What are the key properties of N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide?
N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide is sourced from PubChem (CID 3365484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).