N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide

C22H25Cl2N3O4 — CID 4019007

IUPACN-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
SMILESCCCCCOc1c(C=NNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cccc1OC
InChIInChI=1S/C22H25Cl2N3O4/c1-3-4-5-11-31-22-15(7-6-8-19(22)30-2)14-25-27-21(29)13-20(28)26-16-9-10-17(23)18(24)12-16/h6-10,12,14H,3-5,11,13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyZZLDONIJJLKGPE-UHFFFAOYSA-N
MW466.37 g/mol
LogP5.05
Rot. Bonds11

About N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide

N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide (PubChem CID 4019007) has the molecular formula C22H25Cl2N3O4 and a molecular weight of 466.37 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
PubChem CID4019007
Molecular FormulaC22H25Cl2N3O4
Molecular Weight466.37 g/mol
Exact Mass465.12
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
SMILESCCCCCOc1c(C=NNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cccc1OC
InChIInChI=1S/C22H25Cl2N3O4/c1-3-4-5-11-31-22-15(7-6-8-19(22)30-2)14-25-27-21(29)13-20(28)26-16-9-10-17(23)18(24)12-16/h6-10,12,14H,3-5,11,13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyZZLDONIJJLKGPE-UHFFFAOYSA-N
XLogP5.05
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4651811
N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3495029
N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135716686
N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide
CID 5239743
2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110524998
N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 5111842
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5115888
N-(3,4-dichlorophenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 6297265
2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110515731
N-(2,3-dimethylphenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]butanediamide
CID 3270963
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3910509
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide (CID 4019007) is N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide is CCCCCOc1c(C=NNC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cccc1OC.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide?
The InChIKey is ZZLDONIJJLKGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O4/c1-3-4-5-11-31-22-15(7-6-8-19(22)30-2)14-25-27-21(29)13-20(28)26-16-9-10-17(23)18(24)12-16/h6-10,12,14H,3-5,11,13H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide?
N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide has a molecular weight of 466.37 g/mol, XLogP of 5.05, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 4019007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).