N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide

C30H44N2O2 — CID 51060625

IUPACN-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C30H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-30(33)32-31-25-28-22-18-19-23-29(28)34-26-27-20-15-14-16-21-27/h14-16,18-23,25H,2-13,17,24,26H2,1H3,(H,32,33)/b31-25+
InChIKeyRRHAVERGUCPMAV-QCKNELIISA-N
MW464.69 g/mol
LogP8.20
Rot. Bonds19

About N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide

N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide (PubChem CID 51060625) has the molecular formula C30H44N2O2 and a molecular weight of 464.69 g/mol. Its IUPAC name is N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide.

Molecular Properties

Compound NameN-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
PubChem CID51060625
Molecular FormulaC30H44N2O2
Molecular Weight464.69 g/mol
Exact Mass464.34
IUPAC NameN-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C30H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-30(33)32-31-25-28-22-18-19-23-29(28)34-26-27-20-15-14-16-21-27/h14-16,18-23,25H,2-13,17,24,26H2,1H3,(H,32,33)/b31-25+
InChIKeyRRHAVERGUCPMAV-QCKNELIISA-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'}

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Related Compounds

N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide
CID 45054649
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3289635
N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide
CID 51062342
N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6263316
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide
CID 3536495
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide
CID 3543860
4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3372714
N-(4-iodophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 46502393

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide?
The IUPAC name of N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide (CID 51060625) is N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide.
What is the SMILES notation for N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide?
The canonical SMILES for N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide is CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide?
The InChIKey is RRHAVERGUCPMAV-QCKNELIISA-N. The full InChI is InChI=1S/C30H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-30(33)32-31-25-28-22-18-19-23-29(28)34-26-27-20-15-14-16-21-27/h14-16,18-23,25H,2-13,17,24,26H2,1H3,(H,32,33)/b31-25+.
What are the key properties of N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide?
N-[(E)-(2-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-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide is sourced from PubChem (CID 51060625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).