phenyl N-cyclohexyl-4-methoxybenzenecarboximidate

C20H23NO2 — CID 134920007

IUPACphenyl N-cyclohexyl-4-methoxybenzenecarboximidate
SMILESCOc1ccc(/C(=N\C2CCCCC2)Oc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-22-18-14-12-16(13-15-18)20(21-17-8-4-2-5-9-17)23-19-10-6-3-7-11-19/h3,6-7,10-15,17H,2,4-5,8-9H2,1H3/b21-20+
InChIKeyLZPVHCYSFXHHDW-QZQOTICOSA-N
MW309.41 g/mol
LogP4.85
Rot. Bonds4

About phenyl N-cyclohexyl-4-methoxybenzenecarboximidate

phenyl N-cyclohexyl-4-methoxybenzenecarboximidate (PubChem CID 134920007) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is phenyl N-cyclohexyl-4-methoxybenzenecarboximidate.

Molecular Properties

Compound Namephenyl N-cyclohexyl-4-methoxybenzenecarboximidate
PubChem CID134920007
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namephenyl N-cyclohexyl-4-methoxybenzenecarboximidate
SMILESCOc1ccc(/C(=N\C2CCCCC2)Oc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-22-18-14-12-16(13-15-18)20(21-17-8-4-2-5-9-17)23-19-10-6-3-7-11-19/h3,6-7,10-15,17H,2,4-5,8-9H2,1H3/b21-20+
InChIKeyLZPVHCYSFXHHDW-QZQOTICOSA-N
XLogP4.85
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(1-phenoxyethenyl)benzene
CID 89029241
(2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide
CID 177498957
2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
CID 14746266
1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 11120345
1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
CID 116511370
trans-diphenyl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 15685593
1-(1-cyclohexylethenyl)-4-methoxybenzene
CID 122206167
trans-(1S,2S)-2-(4-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 36688340
2-bromo-N-cyclohexyl-1-phenylpropan-1-imine
CID 11087669
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
hydron;phenyl cycloheptanecarboxylate
CID 174768034

Frequently Asked Questions

What is the IUPAC name of phenyl N-cyclohexyl-4-methoxybenzenecarboximidate?
The IUPAC name of phenyl N-cyclohexyl-4-methoxybenzenecarboximidate (CID 134920007) is phenyl N-cyclohexyl-4-methoxybenzenecarboximidate.
What is the SMILES notation for phenyl N-cyclohexyl-4-methoxybenzenecarboximidate?
The canonical SMILES for phenyl N-cyclohexyl-4-methoxybenzenecarboximidate is COc1ccc(/C(=N\C2CCCCC2)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-cyclohexyl-4-methoxybenzenecarboximidate?
The InChIKey is LZPVHCYSFXHHDW-QZQOTICOSA-N. The full InChI is InChI=1S/C20H23NO2/c1-22-18-14-12-16(13-15-18)20(21-17-8-4-2-5-9-17)23-19-10-6-3-7-11-19/h3,6-7,10-15,17H,2,4-5,8-9H2,1H3/b21-20+.
What are the key properties of phenyl N-cyclohexyl-4-methoxybenzenecarboximidate?
phenyl N-cyclohexyl-4-methoxybenzenecarboximidate has a molecular weight of 309.41 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-cyclohexyl-4-methoxybenzenecarboximidate is sourced from PubChem (CID 134920007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).