methyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate

C24H31N3O2 — CID 73459214

IUPACmethyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate
SMILESCOC(=NC(OC)/C(C)=N/c1c(C)cccc1C)/C(C)=N/c1c(C)cccc1C
InChIInChI=1S/C24H31N3O2/c1-15-11-9-12-16(2)21(15)25-19(5)23(28-7)27-24(29-8)20(6)26-22-17(3)13-10-14-18(22)4/h9-14,23H,1-8H3/b25-19+,26-20+,27-24?
InChIKeyGZBAKOCHRNHLNV-JZABFJRKSA-N
MW393.53 g/mol
LogP5.82
Rot. Bonds6

About methyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate

methyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate (PubChem CID 73459214) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is methyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate.

Molecular Properties

Compound Namemethyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate
PubChem CID73459214
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Namemethyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate
SMILESCOC(=NC(OC)/C(C)=N/c1c(C)cccc1C)/C(C)=N/c1c(C)cccc1C
InChIInChI=1S/C24H31N3O2/c1-15-11-9-12-16(2)21(15)25-19(5)23(28-7)27-24(29-8)20(6)26-22-17(3)13-10-14-18(22)4/h9-14,23H,1-8H3/b25-19+,26-20+,27-24?
InChIKeyGZBAKOCHRNHLNV-JZABFJRKSA-N
XLogP5.82
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate?
The IUPAC name of methyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate (CID 73459214) is methyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate.
What is the SMILES notation for methyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate?
The canonical SMILES for methyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate is COC(=NC(OC)/C(C)=N/c1c(C)cccc1C)/C(C)=N/c1c(C)cccc1C.
What is the InChIKey of methyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate?
The InChIKey is GZBAKOCHRNHLNV-JZABFJRKSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-15-11-9-12-16(2)21(15)25-19(5)23(28-7)27-24(29-8)20(6)26-22-17(3)13-10-14-18(22)4/h9-14,23H,1-8H3/b25-19+,26-20+,27-24?.
What are the key properties of methyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate?
methyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate has a molecular weight of 393.53 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dimethylphenyl)imino-N-[2-(2,6-dimethylphenyl)imino-1-methoxypropyl]propanimidate is sourced from PubChem (CID 73459214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).