2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide

C24H24N2O3 — CID 19172252

IUPAC2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide
SMILESCCc1ccc(OC(C)C(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O3/c1-3-19-12-14-22(15-13-19)28-18(2)24(27)26-25-17-20-8-7-11-23(16-20)29-21-9-5-4-6-10-21/h4-18H,3H2,1-2H3,(H,26,27)
InChIKeyWXQGSBMQLBXGCD-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.96
Rot. Bonds8

About 2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide

2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide (PubChem CID 19172252) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide
PubChem CID19172252
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide
SMILESCCc1ccc(OC(C)C(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C24H24N2O3/c1-3-19-12-14-22(15-13-19)28-18(2)24(27)26-25-17-20-8-7-11-23(16-20)29-21-9-5-4-6-10-21/h4-18H,3H2,1-2H3,(H,26,27)
InChIKeyWXQGSBMQLBXGCD-UHFFFAOYSA-N
XLogP4.96
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 5397085
(2R)-2-(4-chlorophenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 727970
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1039690
N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide
CID 129439276
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
[4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate
CID 4633646
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide
CID 7275620
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)propanamide
CID 135604365
N-(butylideneamino)-2-phenoxypropanamide
CID 4633642
(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide
CID 28839263

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide (CID 19172252) is 2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide is CCc1ccc(OC(C)C(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide?
The InChIKey is WXQGSBMQLBXGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-3-19-12-14-22(15-13-19)28-18(2)24(27)26-25-17-20-8-7-11-23(16-20)29-21-9-5-4-6-10-21/h4-18H,3H2,1-2H3,(H,26,27).
What are the key properties of 2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide?
2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide has a molecular weight of 388.47 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 19172252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).