N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide

C26H36N2O2 — CID 6302563

IUPACN-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H36N2O2/c1-2-3-4-5-6-7-8-9-13-16-26(29)28-27-21-23-17-19-25(20-18-23)30-22-24-14-11-10-12-15-24/h10-12,14-15,17-21H,2-9,13,16,22H2,1H3,(H,28,29)/b27-21-
InChIKeyMFTLNIVDYFALPI-MEFGMAGPSA-N
MW408.59 g/mol
LogP6.64
Rot. Bonds15

About N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide

N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide (PubChem CID 6302563) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide.

Molecular Properties

Compound NameN-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
PubChem CID6302563
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H36N2O2/c1-2-3-4-5-6-7-8-9-13-16-26(29)28-27-21-23-17-19-25(20-18-23)30-22-24-14-11-10-12-15-24/h10-12,14-15,17-21H,2-9,13,16,22H2,1H3,(H,28,29)/b27-21-
InChIKeyMFTLNIVDYFALPI-MEFGMAGPSA-N
XLogP6.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 56.64
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-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
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,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-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide?
The IUPAC name of N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide (CID 6302563) is N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide.
What is the SMILES notation for N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide?
The canonical SMILES for N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide is CCCCCCCCCCCC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide?
The InChIKey is MFTLNIVDYFALPI-MEFGMAGPSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-2-3-4-5-6-7-8-9-13-16-26(29)28-27-21-23-17-19-25(20-18-23)30-22-24-14-11-10-12-15-24/h10-12,14-15,17-21H,2-9,13,16,22H2,1H3,(H,28,29)/b27-21-.
What are the key properties of N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide?
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide has a molecular weight of 408.59 g/mol, XLogP of 6.64, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide is sourced from PubChem (CID 6302563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).