N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide

C25H26N2O3 — CID 3928031

IUPACN-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide
SMILESCCc1cc(C)cc(OCCOc2ccc(C=NNC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C25H26N2O3/c1-3-20-15-19(2)16-24(17-20)30-14-13-29-23-11-9-21(10-12-23)18-26-27-25(28)22-7-5-4-6-8-22/h4-12,15-18H,3,13-14H2,1-2H3,(H,27,28)
InChIKeyODYNTDOPHYMLKO-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.78
Rot. Bonds9

About N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide

N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide (PubChem CID 3928031) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide
PubChem CID3928031
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide
SMILESCCc1cc(C)cc(OCCOc2ccc(C=NNC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C25H26N2O3/c1-3-20-15-19(2)16-24(17-20)30-14-13-29-23-11-9-21(10-12-23)18-26-27-25(28)22-7-5-4-6-8-22/h4-12,15-18H,3,13-14H2,1-2H3,(H,27,28)
InChIKeyODYNTDOPHYMLKO-UHFFFAOYSA-N
XLogP4.78
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
CID 2275370
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 6047587
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876
[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 45054705
[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]thiourea
CID 4669468
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
[4-[(benzoylhydrazinylidene)methyl]phenyl] 3-methylbenzoate
CID 4244003
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6011084

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide (CID 3928031) is N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide is CCc1cc(C)cc(OCCOc2ccc(C=NNC(=O)c3ccccc3)cc2)c1.
What is the InChIKey of N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide?
The InChIKey is ODYNTDOPHYMLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-20-15-19(2)16-24(17-20)30-14-13-29-23-11-9-21(10-12-23)18-26-27-25(28)22-7-5-4-6-8-22/h4-12,15-18H,3,13-14H2,1-2H3,(H,27,28).
What are the key properties of N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide?
N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 3928031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).