N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide

C26H27N3O3 — CID 3520778

IUPACN-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
SMILESCc1cccc(COc2ccc(C=NNC(=O)CC(=O)Nc3ccc(C)cc3C)cc2)c1
InChIInChI=1S/C26H27N3O3/c1-18-5-4-6-22(14-18)17-32-23-10-8-21(9-11-23)16-27-29-26(31)15-25(30)28-24-12-7-19(2)13-20(24)3/h4-14,16H,15,17H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyNNCWTMHPLCMCRZ-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.67
Rot. Bonds8

About N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide

N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide (PubChem CID 3520778) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
PubChem CID3520778
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
SMILESCc1cccc(COc2ccc(C=NNC(=O)CC(=O)Nc3ccc(C)cc3C)cc2)c1
InChIInChI=1S/C26H27N3O3/c1-18-5-4-6-22(14-18)17-32-23-10-8-21(9-11-23)16-27-29-26(31)15-25(30)28-24-12-7-19(2)13-20(24)3/h4-14,16H,15,17H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyNNCWTMHPLCMCRZ-UHFFFAOYSA-N
XLogP4.67
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 5022696
N-(2,4-dimethylphenyl)-N'-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3685018
N-(4-methoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5077102
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4188628
N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)propanediamide
CID 4207869
2-(2,5-dimethylphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3297073
N-(4-bromo-2-methylphenyl)-N'-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19660735
2-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339797
4-[(2E)-2-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339795
(NZ)-N-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6272354
N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4317093

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide (CID 3520778) is N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide is Cc1cccc(COc2ccc(C=NNC(=O)CC(=O)Nc3ccc(C)cc3C)cc2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide?
The InChIKey is NNCWTMHPLCMCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18-5-4-6-22(14-18)17-32-23-10-8-21(9-11-23)16-27-29-26(31)15-25(30)28-24-12-7-19(2)13-20(24)3/h4-14,16H,15,17H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide?
N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide has a molecular weight of 429.52 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide is sourced from PubChem (CID 3520778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).