N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide

C18H19N3O4 — CID 4042396

IUPACN-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
SMILESCOc1cccc(C=NNC(=O)CC(=O)Nc2cccc(OC)c2)c1
InChIInChI=1S/C18H19N3O4/c1-24-15-7-3-5-13(9-15)12-19-21-18(23)11-17(22)20-14-6-4-8-16(10-14)25-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVNCRYRLLXHUWAS-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.18
Rot. Bonds7

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

N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide (PubChem CID 4042396) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
PubChem CID4042396
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
SMILESCOc1cccc(C=NNC(=O)CC(=O)Nc2cccc(OC)c2)c1
InChIInChI=1S/C18H19N3O4/c1-24-15-7-3-5-13(9-15)12-19-21-18(23)11-17(22)20-14-6-4-8-16(10-14)25-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVNCRYRLLXHUWAS-UHFFFAOYSA-N
XLogP2.18
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4317093
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3295281
N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5227321
N'-[(3-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5139780
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 135684236
N'-(benzylideneamino)-N-(4-methoxyphenyl)propanediamide
CID 5156637
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 4218873
N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide
CID 5021212
N'-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 4542979
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide (CID 4042396) is N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide is COc1cccc(C=NNC(=O)CC(=O)Nc2cccc(OC)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide?
The InChIKey is VNCRYRLLXHUWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-15-7-3-5-13(9-15)12-19-21-18(23)11-17(22)20-14-6-4-8-16(10-14)25-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide?
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide has a molecular weight of 341.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 4042396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).