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

C26H25Cl2N3O5 — CID 3345066

IUPACN'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
SMILESCCOc1cc(C=NNC(=O)CC(=O)Nc2cccc(OC)c2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H25Cl2N3O5/c1-3-35-24-11-17(7-10-23(24)36-16-18-8-9-19(27)12-22(18)28)15-29-31-26(33)14-25(32)30-20-5-4-6-21(13-20)34-2/h4-13,15H,3,14,16H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyFDPOYNVWRANFDY-UHFFFAOYSA-N
MW530.41 g/mol
LogP5.46
Rot. Bonds11

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

N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide (PubChem CID 3345066) has the molecular formula C26H25Cl2N3O5 and a molecular weight of 530.41 g/mol. Its IUPAC name is N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
PubChem CID3345066
Molecular FormulaC26H25Cl2N3O5
Molecular Weight530.41 g/mol
Exact Mass529.12
IUPAC NameN'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
SMILESCCOc1cc(C=NNC(=O)CC(=O)Nc2cccc(OC)c2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H25Cl2N3O5/c1-3-35-24-11-17(7-10-23(24)36-16-18-8-9-19(27)12-22(18)28)15-29-31-26(33)14-25(32)30-20-5-4-6-21(13-20)34-2/h4-13,15H,3,14,16H2,1-2H3,(H,30,32)(H,31,33)
InChIKeyFDPOYNVWRANFDY-UHFFFAOYSA-N
XLogP5.46
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.41
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(2,3-dichlorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]propanediamide
CID 3914835
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126370458
2-(4-chloroanilino)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide
CID 126367959
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 96867311
N-(2-chlorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]butanediamide
CID 4587458
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 4218873
2-(4-bromophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide
CID 98050568
N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide
CID 3428879
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
CID 126125307
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 126186145
N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126315371
N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 4233936

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide?
The IUPAC name of N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide (CID 3345066) is N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide.
What is the SMILES notation for N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide?
The canonical SMILES for N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide is CCOc1cc(C=NNC(=O)CC(=O)Nc2cccc(OC)c2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide?
The InChIKey is FDPOYNVWRANFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O5/c1-3-35-24-11-17(7-10-23(24)36-16-18-8-9-19(27)12-22(18)28)15-29-31-26(33)14-25(32)30-20-5-4-6-21(13-20)34-2/h4-13,15H,3,14,16H2,1-2H3,(H,30,32)(H,31,33).
What are the key properties of N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide?
N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide has a molecular weight of 530.41 g/mol, XLogP of 5.46, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide is sourced from PubChem (CID 3345066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).