N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide

C21H24N2O2 — CID 922326

IUPACN-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(NN=Cc1cccc(OCc2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C21H24N2O2/c24-21(19-11-5-2-6-12-19)23-22-15-18-10-7-13-20(14-18)25-16-17-8-3-1-4-9-17/h1,3-4,7-10,13-15,19H,2,5-6,11-12,16H2,(H,23,24)
InChIKeyXKKWSGNBMWBLGU-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.30
Rot. Bonds6

About N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide

N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide (PubChem CID 922326) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide
PubChem CID922326
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(NN=Cc1cccc(OCc2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C21H24N2O2/c24-21(19-11-5-2-6-12-19)23-22-15-18-10-7-13-20(14-18)25-16-17-8-3-1-4-9-17/h1,3-4,7-10,13-15,19H,2,5-6,11-12,16H2,(H,23,24)
InChIKeyXKKWSGNBMWBLGU-UHFFFAOYSA-N
XLogP4.30
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4509998
1-(2-chlorobenzoyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126014303
(1S,6R,7R)-1-methyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 126060333
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
(3R)-1-(4-fluorophenyl)-5-oxo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 126163355
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
(3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 7332724
1-methyl-3-[(E)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7728948
N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 950938

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide (CID 922326) is N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide is O=C(NN=Cc1cccc(OCc2ccccc2)c1)C1CCCCC1.
What is the InChIKey of N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide?
The InChIKey is XKKWSGNBMWBLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(19-11-5-2-6-12-19)23-22-15-18-10-7-13-20(14-18)25-16-17-8-3-1-4-9-17/h1,3-4,7-10,13-15,19H,2,5-6,11-12,16H2,(H,23,24).
What are the key properties of N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide?
N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 922326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).