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

C22H26ClN3O4 — CID 4651811

IUPACN-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
SMILESCCCCCOc1c(C=NNC(=O)CC(=O)Nc2ccc(Cl)cc2)cccc1OC
InChIInChI=1S/C22H26ClN3O4/c1-3-4-5-13-30-22-16(7-6-8-19(22)29-2)15-24-26-21(28)14-20(27)25-18-11-9-17(23)10-12-18/h6-12,15H,3-5,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZRDNSKKCDFEASL-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.40
Rot. Bonds11

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

N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide (PubChem CID 4651811) has the molecular formula C22H26ClN3O4 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
PubChem CID4651811
Molecular FormulaC22H26ClN3O4
Molecular Weight431.92 g/mol
Exact Mass431.16
IUPAC NameN-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
SMILESCCCCCOc1c(C=NNC(=O)CC(=O)Nc2ccc(Cl)cc2)cccc1OC
InChIInChI=1S/C22H26ClN3O4/c1-3-4-5-13-30-22-16(7-6-8-19(22)29-2)15-24-26-21(28)14-20(27)25-18-11-9-17(23)10-12-18/h6-12,15H,3-5,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZRDNSKKCDFEASL-UHFFFAOYSA-N
XLogP4.40
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.40
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'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3495029
N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4019007
2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110515731
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5115888
N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide
CID 5239743
N-(2,3-dimethylphenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]butanediamide
CID 3270963
N'-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)propanediamide
CID 4559520
N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 5111842
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110525315
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
CID 51060988
1-(4-chlorophenyl)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]urea
CID 110536875

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide (CID 4651811) is N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide is CCCCCOc1c(C=NNC(=O)CC(=O)Nc2ccc(Cl)cc2)cccc1OC.
What is the InChIKey of N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide?
The InChIKey is ZRDNSKKCDFEASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4/c1-3-4-5-13-30-22-16(7-6-8-19(22)29-2)15-24-26-21(28)14-20(27)25-18-11-9-17(23)10-12-18/h6-12,15H,3-5,13-14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide?
N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide has a molecular weight of 431.92 g/mol, XLogP of 4.40, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 4651811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).