N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine

C32H32N2O2 — CID 54258313

IUPACN-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine
SMILESCC(CCC/N=C/c1cccc(Oc2ccccc2)c1)C/N=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C32H32N2O2/c1-26(23-34-25-28-13-9-19-32(22-28)36-30-16-6-3-7-17-30)11-10-20-33-24-27-12-8-18-31(21-27)35-29-14-4-2-5-15-29/h2-9,12-19,21-22,24-26H,10-11,20,23H2,1H3/b33-24+,34-25+
InChIKeyRBQBIRWZWINYPG-WASGUHIUSA-N
MW476.62 g/mol
LogP8.23
Rot. Bonds12

About N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine

N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine (PubChem CID 54258313) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine
PubChem CID54258313
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC NameN-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine
SMILESCC(CCC/N=C/c1cccc(Oc2ccccc2)c1)C/N=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C32H32N2O2/c1-26(23-34-25-28-13-9-19-32(22-28)36-30-16-6-3-7-17-30)11-10-20-33-24-27-12-8-18-31(21-27)35-29-14-4-2-5-15-29/h2-9,12-19,21-22,24-26H,10-11,20,23H2,1H3/b33-24+,34-25+
InChIKeyRBQBIRWZWINYPG-WASGUHIUSA-N
XLogP8.23
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine?
The IUPAC name of N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine (CID 54258313) is N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine.
What is the SMILES notation for N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine?
The canonical SMILES for N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine is CC(CCC/N=C/c1cccc(Oc2ccccc2)c1)C/N=C/c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine?
The InChIKey is RBQBIRWZWINYPG-WASGUHIUSA-N. The full InChI is InChI=1S/C32H32N2O2/c1-26(23-34-25-28-13-9-19-32(22-28)36-30-16-6-3-7-17-30)11-10-20-33-24-27-12-8-18-31(21-27)35-29-14-4-2-5-15-29/h2-9,12-19,21-22,24-26H,10-11,20,23H2,1H3/b33-24+,34-25+.
What are the key properties of N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine?
N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine has a molecular weight of 476.62 g/mol, XLogP of 8.23, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(3-phenoxyphenyl)methylideneamino]pentyl]-1-(3-phenoxyphenyl)methanimine is sourced from PubChem (CID 54258313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).