N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide

C14H19N3O4 — CID 5363155

IUPACN'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19N3O4/c1-4-7-15-13(18)14(19)17-16-9-10-5-6-11(20-2)12(8-10)21-3/h5-6,8-9H,4,7H2,1-3H3,(H,15,18)(H,17,19)/b16-9-
InChIKeyCIADORQKMSTJKQ-SXGWCWSVSA-N
MW293.32 g/mol
LogP0.68
Rot. Bonds6

About N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide

N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide (PubChem CID 5363155) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide
PubChem CID5363155
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19N3O4/c1-4-7-15-13(18)14(19)17-16-9-10-5-6-11(20-2)12(8-10)21-3/h5-6,8-9H,4,7H2,1-3H3,(H,15,18)(H,17,19)/b16-9-
InChIKeyCIADORQKMSTJKQ-SXGWCWSVSA-N
XLogP0.68
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide
CID 8989086
N'-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-propyloxamide
CID 8930740
N-ethyl-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 8989083
N-butyl-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 137085164
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94846416
2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8990059
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide
CID 8900282
N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931811
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8900870

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide?
The IUPAC name of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide (CID 5363155) is N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide.
What is the SMILES notation for N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide?
The canonical SMILES for N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide is CCCNC(=O)C(=O)N/N=C\c1ccc(OC)c(OC)c1.
What is the InChIKey of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide?
The InChIKey is CIADORQKMSTJKQ-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-4-7-15-13(18)14(19)17-16-9-10-5-6-11(20-2)12(8-10)21-3/h5-6,8-9H,4,7H2,1-3H3,(H,15,18)(H,17,19)/b16-9-.
What are the key properties of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide?
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide has a molecular weight of 293.32 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide is sourced from PubChem (CID 5363155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).