4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide

C22H19NO3 — CID 139661611

IUPAC4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(COc2cccc(C=O)c2)cc1)c1ccccc1
InChIInChI=1S/C22H19NO3/c1-23(20-7-3-2-4-8-20)22(25)19-12-10-17(11-13-19)16-26-21-9-5-6-18(14-21)15-24/h2-15H,16H2,1H3
InChIKeyIILUHAXHFUEZRQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.35
Rot. Bonds6

About 4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide

4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide (PubChem CID 139661611) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide
PubChem CID139661611
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(COc2cccc(C=O)c2)cc1)c1ccccc1
InChIInChI=1S/C22H19NO3/c1-23(20-7-3-2-4-8-20)22(25)19-12-10-17(11-13-19)16-26-21-9-5-6-18(14-21)15-24/h2-15H,16H2,1H3
InChIKeyIILUHAXHFUEZRQ-UHFFFAOYSA-N
XLogP4.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methoxyphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 122195803
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
4-methylbenzaldehyde;3-[(4-methylphenyl)methoxy]benzaldehyde
CID 161145970
3-[(4-hydroxy-3-methylsulfanylphenyl)methoxy]benzaldehyde
CID 88610962
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide
CID 134109031
2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 78760080
N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17230251
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630

Frequently Asked Questions

What is the IUPAC name of 4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide (CID 139661611) is 4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(COc2cccc(C=O)c2)cc1)c1ccccc1.
What is the InChIKey of 4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide?
The InChIKey is IILUHAXHFUEZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-23(20-7-3-2-4-8-20)22(25)19-12-10-17(11-13-19)16-26-21-9-5-6-18(14-21)15-24/h2-15H,16H2,1H3.
What are the key properties of 4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide?
4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide has a molecular weight of 345.40 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 139661611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).