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

C25H34N2O2 — CID 75087369

IUPACN-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
SMILESCCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C25H34N2O2/c1-3-4-5-6-7-8-9-10-25(28)27-26-19-22-15-17-24(18-16-22)29-20-23-13-11-21(2)12-14-23/h11-19H,3-10,20H2,1-2H3,(H,27,28)
InChIKeyWKMRKWUJWGJKBA-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.16
Rot. Bonds13

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

N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide (PubChem CID 75087369) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide.

Molecular Properties

Compound NameN-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
PubChem CID75087369
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
SMILESCCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C25H34N2O2/c1-3-4-5-6-7-8-9-10-25(28)27-26-19-22-15-17-24(18-16-22)29-20-23-13-11-21(2)12-14-23/h11-19H,3-10,20H2,1-2H3,(H,27,28)
InChIKeyWKMRKWUJWGJKBA-UHFFFAOYSA-N
XLogP6.16
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.16
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]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-[(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]decanamide?
The IUPAC name of N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide (CID 75087369) is N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide.
What is the SMILES notation for N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide?
The canonical SMILES for N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide is CCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide?
The InChIKey is WKMRKWUJWGJKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-3-4-5-6-7-8-9-10-25(28)27-26-19-22-15-17-24(18-16-22)29-20-23-13-11-21(2)12-14-23/h11-19H,3-10,20H2,1-2H3,(H,27,28).
What are the key properties of N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide?
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide has a molecular weight of 394.56 g/mol, XLogP of 6.16, 13 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]decanamide is sourced from PubChem (CID 75087369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).