N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide

C15H19N3O4 — CID 4132961

IUPACN'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(=O)NN=Cc1ccc(OC)cc1OC
InChIInChI=1S/C15H19N3O4/c1-4-7-16-14(19)9-15(20)18-17-10-11-5-6-12(21-2)8-13(11)22-3/h4-6,8,10H,1,7,9H2,2-3H3,(H,16,19)(H,18,20)
InChIKeyJJNNKAQETIAINU-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.85
Rot. Bonds8

About N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide

N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide (PubChem CID 4132961) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide.

Molecular Properties

Compound NameN'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide
PubChem CID4132961
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(=O)NN=Cc1ccc(OC)cc1OC
InChIInChI=1S/C15H19N3O4/c1-4-7-16-14(19)9-15(20)18-17-10-11-5-6-12(21-2)8-13(11)22-3/h4-6,8,10H,1,7,9H2,2-3H3,(H,16,19)(H,18,20)
InChIKeyJJNNKAQETIAINU-UHFFFAOYSA-N
XLogP0.85
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.85
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3959859
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 135698718
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide
CID 43887205
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 871407
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6907755
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653
2-(azocan-1-yl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 5338397
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944791
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 5406502
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 788742

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide?
The IUPAC name of N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide (CID 4132961) is N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide.
What is the SMILES notation for N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide?
The canonical SMILES for N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide is C=CCNC(=O)CC(=O)NN=Cc1ccc(OC)cc1OC.
What is the InChIKey of N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide?
The InChIKey is JJNNKAQETIAINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-4-7-16-14(19)9-15(20)18-17-10-11-5-6-12(21-2)8-13(11)22-3/h4-6,8,10H,1,7,9H2,2-3H3,(H,16,19)(H,18,20).
What are the key properties of N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide?
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide has a molecular weight of 305.33 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide is sourced from PubChem (CID 4132961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).