N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide

C27H46N2O2 — CID 98296453

IUPACN-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccc(OCC)cc1
InChIInChI=1S/C27H46N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(30)29-28-24-25-20-22-26(23-21-25)31-4-2/h20-24H,3-19H2,1-2H3,(H,29,30)/b28-24-
InChIKeyGWHQUBDDTFQRAZ-COOPMVRXSA-N
MW430.68 g/mol
LogP7.80
Rot. Bonds20

About N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide

N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide (PubChem CID 98296453) has the molecular formula C27H46N2O2 and a molecular weight of 430.68 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
PubChem CID98296453
Molecular FormulaC27H46N2O2
Molecular Weight430.68 g/mol
Exact Mass430.36
IUPAC NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccc(OCC)cc1
InChIInChI=1S/C27H46N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(30)29-28-24-25-20-22-26(23-21-25)31-4-2/h20-24H,3-19H2,1-2H3,(H,29,30)/b28-24-
InChIKeyGWHQUBDDTFQRAZ-COOPMVRXSA-N
XLogP7.80
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.68
LogP ≤ 57.80
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-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide 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-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]hexadecanamide
CID 51061289
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 75087369
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide
CID 3709189
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 45054424
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]octanamide
CID 90643317
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide?
The IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide (CID 98296453) is N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide.
What is the SMILES notation for N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide?
The canonical SMILES for N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccc(OCC)cc1.
What is the InChIKey of N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide?
The InChIKey is GWHQUBDDTFQRAZ-COOPMVRXSA-N. The full InChI is InChI=1S/C27H46N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(30)29-28-24-25-20-22-26(23-21-25)31-4-2/h20-24H,3-19H2,1-2H3,(H,29,30)/b28-24-.
What are the key properties of N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide?
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide has a molecular weight of 430.68 g/mol, XLogP of 7.80, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide is sourced from PubChem (CID 98296453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).