N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide

C30H44N2O2 — CID 3861652

IUPACN-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-30(33)32-31-25-27-21-23-29(24-22-27)34-26-28-18-15-14-16-19-28/h14-16,18-19,21-25H,2-13,17,20,26H2,1H3,(H,32,33)
InChIKeyIJBCLEVTSSNCRX-UHFFFAOYSA-N
MW464.69 g/mol
LogP8.20
Rot. Bonds19

About N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide

N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide (PubChem CID 3861652) has the molecular formula C30H44N2O2 and a molecular weight of 464.69 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
PubChem CID3861652
Molecular FormulaC30H44N2O2
Molecular Weight464.69 g/mol
Exact Mass464.34
IUPAC NameN-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-30(33)32-31-25-27-21-23-29(24-22-27)34-26-28-18-15-14-16-19-28/h14-16,18-19,21-25H,2-13,17,20,26H2,1H3,(H,32,33)
InChIKeyIJBCLEVTSSNCRX-UHFFFAOYSA-N
XLogP8.20
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.69
LogP ≤ 58.20
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'}

Analyze N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 75087369
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 45054424
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide
CID 3709189
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]octanamide
CID 90643317
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide (CID 3861652) is N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide?
The InChIKey is IJBCLEVTSSNCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-30(33)32-31-25-27-21-23-29(24-22-27)34-26-28-18-15-14-16-19-28/h14-16,18-19,21-25H,2-13,17,20,26H2,1H3,(H,32,33).
What are the key properties of N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide?
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide has a molecular weight of 464.69 g/mol, XLogP of 8.20, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide is sourced from PubChem (CID 3861652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).