N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide

C25H25N3O5 — CID 4317093

IUPACN-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide
SMILESCOc1ccc(COc2ccc(C=NNC(=O)CC(=O)Nc3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C25H25N3O5/c1-31-21-10-8-19(9-11-21)17-33-22-12-6-18(7-13-22)16-26-28-25(30)15-24(29)27-20-4-3-5-23(14-20)32-2/h3-14,16H,15,17H2,1-2H3,(H,27,29)(H,28,30)
InChIKeySEJCSTRZWBHPET-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.76
Rot. Bonds10

About N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide

N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide (PubChem CID 4317093) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide
PubChem CID4317093
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide
SMILESCOc1ccc(COc2ccc(C=NNC(=O)CC(=O)Nc3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C25H25N3O5/c1-31-21-10-8-19(9-11-21)17-33-22-12-6-18(7-13-22)16-26-28-25(30)15-24(29)27-20-4-3-5-23(14-20)32-2/h3-14,16H,15,17H2,1-2H3,(H,27,29)(H,28,30)
InChIKeySEJCSTRZWBHPET-UHFFFAOYSA-N
XLogP3.76
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.76
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'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 4218873
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
N'-[[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 4533761
N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 5022696
N-(4-ethylphenyl)-N'-[(Z)-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126158077
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3295281
N'-(benzylideneamino)-N-(4-methoxyphenyl)propanediamide
CID 5156637
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 90643398
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5227321

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide?
The IUPAC name of N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide (CID 4317093) is N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide?
The canonical SMILES for N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide is COc1ccc(COc2ccc(C=NNC(=O)CC(=O)Nc3cccc(OC)c3)cc2)cc1.
What is the InChIKey of N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide?
The InChIKey is SEJCSTRZWBHPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-31-21-10-8-19(9-11-21)17-33-22-12-6-18(7-13-22)16-26-28-25(30)15-24(29)27-20-4-3-5-23(14-20)32-2/h3-14,16H,15,17H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide?
N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide has a molecular weight of 447.49 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide is sourced from PubChem (CID 4317093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).