N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide

C13H15N3O3 — CID 2244283

IUPACN'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NN=Cc1cccc(OC)c1
InChIInChI=1S/C13H15N3O3/c1-3-7-14-12(17)13(18)16-15-9-10-5-4-6-11(8-10)19-2/h3-6,8-9H,1,7H2,2H3,(H,14,17)(H,16,18)
InChIKeyHVOQLWWTKROKSH-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.45
Rot. Bonds5

About N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide

N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide (PubChem CID 2244283) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
PubChem CID2244283
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NN=Cc1cccc(OC)c1
InChIInChI=1S/C13H15N3O3/c1-3-7-14-12(17)13(18)16-15-9-10-5-4-6-11(8-10)19-2/h3-6,8-9H,1,7H2,2H3,(H,14,17)(H,16,18)
InChIKeyHVOQLWWTKROKSH-UHFFFAOYSA-N
XLogP0.45
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N'-[(E)-(3-bromophenyl)methylideneamino]-N-prop-2-enyloxamide
CID 5339201
N'-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8900453
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N'-[(Z)-[3-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126178288
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide
CID 40531263
N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931811
N'-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8901516
N'-[(Z)-[3-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126162735
N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide
CID 44995985
N'-[(Z)-(3-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8901425

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide (CID 2244283) is N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NN=Cc1cccc(OC)c1.
What is the InChIKey of N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The InChIKey is HVOQLWWTKROKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-7-14-12(17)13(18)16-15-9-10-5-4-6-11(8-10)19-2/h3-6,8-9H,1,7H2,2H3,(H,14,17)(H,16,18).
What are the key properties of N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide has a molecular weight of 261.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide is sourced from PubChem (CID 2244283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).