2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide

C24H22N2O2 — CID 57224207

IUPAC2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide
SMILESCON=C(C#N)c1ccccc1-c1ccc(COc2cc(C)ccc2C)cc1
InChIInChI=1S/C24H22N2O2/c1-17-8-9-18(2)24(14-17)28-16-19-10-12-20(13-11-19)21-6-4-5-7-22(21)23(15-25)26-27-3/h4-14H,16H2,1-3H3
InChIKeyZARCLURVPGHOBD-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.42
Rot. Bonds6

About 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide

2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide (PubChem CID 57224207) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide
PubChem CID57224207
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide
SMILESCON=C(C#N)c1ccccc1-c1ccc(COc2cc(C)ccc2C)cc1
InChIInChI=1S/C24H22N2O2/c1-17-8-9-18(2)24(14-17)28-16-19-10-12-20(13-11-19)21-6-4-5-7-22(21)23(15-25)26-27-3/h4-14H,16H2,1-3H3
InChIKeyZARCLURVPGHOBD-UHFFFAOYSA-N
XLogP5.42
TPSA54.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-N-methoxy-2-[(4-methylphenoxy)methyl]benzenecarboximidoyl cyanide
CID 22415779
2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 91501205
(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylideneacetamide
CID 18715723
1-(4,5-dihydro-1,2-oxazol-3-yl)-1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxymethanimine
CID 122177269
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine
CID 54072231
4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol
CID 159469456
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetohydrazide
CID 86584675
5-(2,5-dimethylphenyl)-2-phenylmethoxybenzonitrile
CID 175686489
4-[(2,5-dimethylphenoxy)methyl]benzoic acid
CID 7015959
(1Z)-N-methoxy-2-[(propan-2-ylideneamino)oxymethyl]benzenecarboximidoyl cyanide
CID 22944327
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
2-(4-methyl-3-phenylmethoxyphenyl)ethanol
CID 117358003

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide?
The IUPAC name of 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide (CID 57224207) is 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide.
What is the SMILES notation for 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide?
The canonical SMILES for 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide is CON=C(C#N)c1ccccc1-c1ccc(COc2cc(C)ccc2C)cc1.
What is the InChIKey of 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide?
The InChIKey is ZARCLURVPGHOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-17-8-9-18(2)24(14-17)28-16-19-10-12-20(13-11-19)21-6-4-5-7-22(21)23(15-25)26-27-3/h4-14H,16H2,1-3H3.
What are the key properties of 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide?
2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide has a molecular weight of 370.45 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methoxybenzenecarboximidoyl cyanide is sourced from PubChem (CID 57224207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).