N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide

C17H18N2O3 — CID 135643099

IUPACN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
SMILESCC/C(=N\NC(=O)c1ccccc1OC)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O3/c1-3-15(12-8-10-13(20)11-9-12)18-19-17(21)14-6-4-5-7-16(14)22-2/h4-11,20H,3H2,1-2H3,(H,19,21)/b18-15+
InChIKeyUMDUAYMCDNYJNZ-OBGWFSINSA-N
MW298.34 g/mol
LogP2.94
Rot. Bonds5

About N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide

N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide (PubChem CID 135643099) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
PubChem CID135643099
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
SMILESCC/C(=N\NC(=O)c1ccccc1OC)c1ccc(O)cc1
InChIInChI=1S/C17H18N2O3/c1-3-15(12-8-10-13(20)11-9-12)18-19-17(21)14-6-4-5-7-16(14)22-2/h4-11,20H,3H2,1-2H3,(H,19,21)/b18-15+
InChIKeyUMDUAYMCDNYJNZ-OBGWFSINSA-N
XLogP2.94
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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': 'hzone_phenol_B(215)', '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-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide
CID 4928957
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide
CID 135560290
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928
2-methoxy-N-(1-phenylpentylideneamino)benzamide
CID 4692149
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide
CID 135899627
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135625816
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
CID 4933037

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide (CID 135643099) is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide is CC/C(=N\NC(=O)c1ccccc1OC)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide?
The InChIKey is UMDUAYMCDNYJNZ-OBGWFSINSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-15(12-8-10-13(20)11-9-12)18-19-17(21)14-6-4-5-7-16(14)22-2/h4-11,20H,3H2,1-2H3,(H,19,21)/b18-15+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide?
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide has a molecular weight of 298.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 135643099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).