N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide

C23H22N2O2 — CID 3328322

IUPACN-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1
InChIInChI=1S/C23H22N2O2/c1-2-23(27)25-21-11-9-20(10-12-21)24-16-19-15-18(8-13-22(19)26)14-17-6-4-3-5-7-17/h3-13,15-16,26H,2,14H2,1H3,(H,25,27)/b24-16+
InChIKeyLLDGGNLSKXULBN-LFVJCYFKSA-N
MW358.44 g/mol
LogP5.08
Rot. Bonds6

About N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide

N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide (PubChem CID 3328322) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
PubChem CID3328322
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1
InChIInChI=1S/C23H22N2O2/c1-2-23(27)25-21-11-9-20(10-12-21)24-16-19-15-18(8-13-22(19)26)14-17-6-4-3-5-7-17/h3-13,15-16,26H,2,14H2,1H3,(H,25,27)/b24-16+
InChIKeyLLDGGNLSKXULBN-LFVJCYFKSA-N
XLogP5.08
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-2-(phenyliminomethyl)phenol
CID 135819180
4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
CID 135588522
N-[4-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]propanamide
CID 4160765
4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol
CID 135799750
4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol
CID 4141686
4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169382303
N-(3-benzylphenyl)propanamide
CID 70797974
N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
CID 4054098
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135720813
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol
CID 3788180

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide?
The IUPAC name of N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide (CID 3328322) is N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide?
The canonical SMILES for N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide is CCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1.
What is the InChIKey of N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide?
The InChIKey is LLDGGNLSKXULBN-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-2-23(27)25-21-11-9-20(10-12-21)24-16-19-15-18(8-13-22(19)26)14-17-6-4-3-5-7-17/h3-13,15-16,26H,2,14H2,1H3,(H,25,27)/b24-16+.
What are the key properties of N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide?
N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide has a molecular weight of 358.44 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide is sourced from PubChem (CID 3328322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).