N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide

C28H24N2O3 — CID 126217084

IUPACN-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide
SMILESCc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)c1
InChIInChI=1S/C28H24N2O3/c1-21-6-5-7-24(18-21)30-28(31)20-32-25-14-10-22(11-15-25)19-29-23-12-16-27(17-13-23)33-26-8-3-2-4-9-26/h2-19H,20H2,1H3,(H,30,31)/b29-19+
InChIKeyLIIOMSYKKWZXFB-VUTHCHCSSA-N
MW436.51 g/mol
LogP6.56
Rot. Bonds8

About N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide

N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide (PubChem CID 126217084) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide
PubChem CID126217084
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC NameN-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide
SMILESCc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)c1
InChIInChI=1S/C28H24N2O3/c1-21-6-5-7-24(18-21)30-28(31)20-32-25-14-10-22(11-15-25)19-29-23-12-16-27(17-13-23)33-26-8-3-2-4-9-26/h2-19H,20H2,1H3,(H,30,31)/b29-19+
InChIKeyLIIOMSYKKWZXFB-VUTHCHCSSA-N
XLogP6.56
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222360
2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 94832090
2-[4-[(2,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220849
2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126218806
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126217870
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126220525
2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215354
N-benzyl-2-[4-[(4-methylphenyl)iminomethyl]phenoxy]acetamide
CID 94832020
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 94832076
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 28561560
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide (CID 126217084) is N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide is Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide?
The InChIKey is LIIOMSYKKWZXFB-VUTHCHCSSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-21-6-5-7-24(18-21)30-28(31)20-32-25-14-10-22(11-15-25)19-29-23-12-16-27(17-13-23)33-26-8-3-2-4-9-26/h2-19H,20H2,1H3,(H,30,31)/b29-19+.
What are the key properties of N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide?
N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide has a molecular weight of 436.51 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide is sourced from PubChem (CID 126217084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).