N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide

C32H38N4O2 — CID 56933746

IUPACN'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide
SMILESN/C(=N\c1ccc(Oc2cccc(Oc3ccc(/N=C(\N)C4CCCCC4)cc3)c2)cc1)C1CCCCC1
InChIInChI=1S/C32H38N4O2/c33-31(23-8-3-1-4-9-23)35-25-14-18-27(19-15-25)37-29-12-7-13-30(22-29)38-28-20-16-26(17-21-28)36-32(34)24-10-5-2-6-11-24/h7,12-24H,1-6,8-11H2,(H2,33,35)(H2,34,36)
InChIKeyZEFLPPKOBOHXKG-UHFFFAOYSA-N
MW510.68 g/mol
LogP8.41
Rot. Bonds8

About N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide

N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide (PubChem CID 56933746) has the molecular formula C32H38N4O2 and a molecular weight of 510.68 g/mol. Its IUPAC name is N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide
PubChem CID56933746
Molecular FormulaC32H38N4O2
Molecular Weight510.68 g/mol
Exact Mass510.30
IUPAC NameN'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide
SMILESN/C(=N\c1ccc(Oc2cccc(Oc3ccc(/N=C(\N)C4CCCCC4)cc3)c2)cc1)C1CCCCC1
InChIInChI=1S/C32H38N4O2/c33-31(23-8-3-1-4-9-23)35-25-14-18-27(19-15-25)37-29-12-7-13-30(22-29)38-28-20-16-26(17-21-28)36-32(34)24-10-5-2-6-11-24/h7,12-24H,1-6,8-11H2,(H2,33,35)(H2,34,36)
InChIKeyZEFLPPKOBOHXKG-UHFFFAOYSA-N
XLogP8.41
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide?
The IUPAC name of N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide (CID 56933746) is N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide.
What is the SMILES notation for N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide?
The canonical SMILES for N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide is N/C(=N\c1ccc(Oc2cccc(Oc3ccc(/N=C(\N)C4CCCCC4)cc3)c2)cc1)C1CCCCC1.
What is the InChIKey of N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide?
The InChIKey is ZEFLPPKOBOHXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O2/c33-31(23-8-3-1-4-9-23)35-25-14-18-27(19-15-25)37-29-12-7-13-30(22-29)38-28-20-16-26(17-21-28)36-32(34)24-10-5-2-6-11-24/h7,12-24H,1-6,8-11H2,(H2,33,35)(H2,34,36).
What are the key properties of N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide?
N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide has a molecular weight of 510.68 g/mol, XLogP of 8.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide is sourced from PubChem (CID 56933746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).