N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide

C21H25N3O5 — CID 5244595

IUPACN'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
SMILESCCOc1c(C=NNC(=O)CCC(=O)Nc2ccc(OC)cc2)cccc1OC
InChIInChI=1S/C21H25N3O5/c1-4-29-21-15(6-5-7-18(21)28-3)14-22-24-20(26)13-12-19(25)23-16-8-10-17(27-2)11-9-16/h5-11,14H,4,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIKOGCSKIRLLJQL-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.97
Rot. Bonds10

About N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide

N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide (PubChem CID 5244595) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
PubChem CID5244595
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
SMILESCCOc1c(C=NNC(=O)CCC(=O)Nc2ccc(OC)cc2)cccc1OC
InChIInChI=1S/C21H25N3O5/c1-4-29-21-15(6-5-7-18(21)28-3)14-22-24-20(26)13-12-19(25)23-16-8-10-17(27-2)11-9-16/h5-11,14H,4,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIKOGCSKIRLLJQL-UHFFFAOYSA-N
XLogP2.97
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5115888
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3495029
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274
N-(4-ethoxyphenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135679720
N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 3901959
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3910509
N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 5111842
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4981059
N-(4-ethoxyphenyl)-N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]butanediamide
CID 4576013
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide
CID 4552108
N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide
CID 5239743

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide?
The IUPAC name of N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide (CID 5244595) is N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide.
What is the SMILES notation for N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide?
The canonical SMILES for N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide is CCOc1c(C=NNC(=O)CCC(=O)Nc2ccc(OC)cc2)cccc1OC.
What is the InChIKey of N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide?
The InChIKey is IKOGCSKIRLLJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-4-29-21-15(6-5-7-18(21)28-3)14-22-24-20(26)13-12-19(25)23-16-8-10-17(27-2)11-9-16/h5-11,14H,4,12-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide?
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide has a molecular weight of 399.45 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide is sourced from PubChem (CID 5244595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).