N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide

C33H50N2O2 — CID 3709189

IUPACN-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C33H50N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33(36)35-34-27-30-23-25-32(26-24-30)37-28-31-21-19-29(2)20-22-31/h19-27H,3-18,28H2,1-2H3,(H,35,36)
InChIKeyRUQWZLVMNPZZAT-UHFFFAOYSA-N
MW506.78 g/mol
LogP9.29
Rot. Bonds21

About N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide

N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide (PubChem CID 3709189) has the molecular formula C33H50N2O2 and a molecular weight of 506.78 g/mol. Its IUPAC name is N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide.

Molecular Properties

Compound NameN-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide
PubChem CID3709189
Molecular FormulaC33H50N2O2
Molecular Weight506.78 g/mol
Exact Mass506.39
IUPAC NameN-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C33H50N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33(36)35-34-27-30-23-25-32(26-24-30)37-28-31-21-19-29(2)20-22-31/h19-27H,3-18,28H2,1-2H3,(H,35,36)
InChIKeyRUQWZLVMNPZZAT-UHFFFAOYSA-N
XLogP9.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.78
LogP ≤ 59.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 75087369
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 45054424
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]octanamide
CID 90643317
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 3553870
N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]hexadecanamide
CID 51061289

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide?
The IUPAC name of N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide (CID 3709189) is N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide.
What is the SMILES notation for N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide?
The canonical SMILES for N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide?
The InChIKey is RUQWZLVMNPZZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33(36)35-34-27-30-23-25-32(26-24-30)37-28-31-21-19-29(2)20-22-31/h19-27H,3-18,28H2,1-2H3,(H,35,36).
What are the key properties of N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide?
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide has a molecular weight of 506.78 g/mol, XLogP of 9.29, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide is sourced from PubChem (CID 3709189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).