4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide

C22H22N2O — CID 12966226

IUPAC4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide
SMILESCc1ccc(/C(=N/c2cccc(C)c2)NOCc2ccccc2)cc1
InChIInChI=1S/C22H22N2O/c1-17-11-13-20(14-12-17)22(23-21-10-6-7-18(2)15-21)24-25-16-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,23,24)
InChIKeySQKWVZCSHGYKFK-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.10
Rot. Bonds5

About 4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide

4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide (PubChem CID 12966226) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide
PubChem CID12966226
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide
SMILESCc1ccc(/C(=N/c2cccc(C)c2)NOCc2ccccc2)cc1
InChIInChI=1S/C22H22N2O/c1-17-11-13-20(14-12-17)22(23-21-10-6-7-18(2)15-21)24-25-16-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,23,24)
InChIKeySQKWVZCSHGYKFK-UHFFFAOYSA-N
XLogP5.10
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide
CID 12966219
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271
4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
CID 30023841
2,5-dimethyl-N-phenylmethoxyaniline
CID 88670805
2-(2,5-dimethylphenyl)-N-phenylmethoxyacetamide
CID 63102778
2-bromo-5-methyl-N-phenylmethoxybenzamide
CID 80962365
benzyl 4-[(4-methylphenyl)diazenyl]benzoate
CID 155439607
1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine
CID 144623857
N-(3-methylphenyl)butan-2-imine
CID 54385818
1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene
CID 139666701
ethyl N-[(3-methylphenyl)methoxy]carbamate
CID 121006140

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide?
The IUPAC name of 4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide (CID 12966226) is 4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for 4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for 4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide is Cc1ccc(/C(=N/c2cccc(C)c2)NOCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide?
The InChIKey is SQKWVZCSHGYKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-17-11-13-20(14-12-17)22(23-21-10-6-7-18(2)15-21)24-25-16-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,23,24).
What are the key properties of 4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide?
4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide has a molecular weight of 330.43 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide is sourced from PubChem (CID 12966226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).