N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide

C27H26N2O2 — CID 3942761

IUPACN-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide
SMILESO=C(NN=CC1CC=CCC1)c1ccc(COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C27H26N2O2/c30-27(29-28-19-21-9-3-1-4-10-21)24-17-15-22(16-18-24)20-31-26-14-8-7-13-25(26)23-11-5-2-6-12-23/h1-3,5-8,11-19,21H,4,9-10,20H2,(H,29,30)
InChIKeyPCPUWHSJCQMOAL-UHFFFAOYSA-N
MW410.52 g/mol
LogP6.00
Rot. Bonds7

About N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide

N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide (PubChem CID 3942761) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide
PubChem CID3942761
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC NameN-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide
SMILESO=C(NN=CC1CC=CCC1)c1ccc(COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C27H26N2O2/c30-27(29-28-19-21-9-3-1-4-10-21)24-17-15-22(16-18-24)20-31-26-14-8-7-13-25(26)23-11-5-2-6-12-23/h1-3,5-8,11-19,21H,4,9-10,20H2,(H,29,30)
InChIKeyPCPUWHSJCQMOAL-UHFFFAOYSA-N
XLogP6.00
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518160
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 135607593
N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide
CID 2381303
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6903402
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215546
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3944391
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6904277
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
CID 6544583
N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3428420
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337371
1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea
CID 8626379
N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3309207

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide (CID 3942761) is N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide is O=C(NN=CC1CC=CCC1)c1ccc(COc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide?
The InChIKey is PCPUWHSJCQMOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c30-27(29-28-19-21-9-3-1-4-10-21)24-17-15-22(16-18-24)20-31-26-14-8-7-13-25(26)23-11-5-2-6-12-23/h1-3,5-8,11-19,21H,4,9-10,20H2,(H,29,30).
What are the key properties of N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide?
N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide has a molecular weight of 410.52 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide is sourced from PubChem (CID 3942761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).