N'-(4-methoxyanilino)-2-oxopropanimidamide

C10H13N3O2 — CID 6340122

IUPACN'-(4-methoxyanilino)-2-oxopropanimidamide
SMILESCOc1ccc(N/N=C(/N)C(C)=O)cc1
InChIInChI=1S/C10H13N3O2/c1-7(14)10(11)13-12-8-3-5-9(15-2)6-4-8/h3-6,12H,1-2H3,(H2,11,13)
InChIKeyYQUAQMWVGOMVMO-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.97
Rot. Bonds4

About N'-(4-methoxyanilino)-2-oxopropanimidamide

N'-(4-methoxyanilino)-2-oxopropanimidamide (PubChem CID 6340122) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N'-(4-methoxyanilino)-2-oxopropanimidamide.

Molecular Properties

Compound NameN'-(4-methoxyanilino)-2-oxopropanimidamide
PubChem CID6340122
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN'-(4-methoxyanilino)-2-oxopropanimidamide
SMILESCOc1ccc(N/N=C(/N)C(C)=O)cc1
InChIInChI=1S/C10H13N3O2/c1-7(14)10(11)13-12-8-3-5-9(15-2)6-4-8/h3-6,12H,1-2H3,(H2,11,13)
InChIKeyYQUAQMWVGOMVMO-UHFFFAOYSA-N
XLogP0.97
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N'-(4-methoxyanilino)ethanimidamide
CID 141071523
4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid
CID 131854983
ethyl (1E)-2-chloro-N-(4-methoxyphenyl)-2-oxoethanehydrazonate
CID 138388179
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
N-(4-methoxyphenyl)-2-oxopropanethioamide
CID 15191748
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
ethyl (2E)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 6880876
ethyl (2Z)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 5417584
4-(4-methoxyphenyl)-3-(phenylhydrazinylidene)pentan-2-one
CID 91962586
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
CID 75409663
4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
CID 7295893
(1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride
CID 90158450

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyanilino)-2-oxopropanimidamide?
The IUPAC name of N'-(4-methoxyanilino)-2-oxopropanimidamide (CID 6340122) is N'-(4-methoxyanilino)-2-oxopropanimidamide.
What is the SMILES notation for N'-(4-methoxyanilino)-2-oxopropanimidamide?
The canonical SMILES for N'-(4-methoxyanilino)-2-oxopropanimidamide is COc1ccc(N/N=C(/N)C(C)=O)cc1.
What is the InChIKey of N'-(4-methoxyanilino)-2-oxopropanimidamide?
The InChIKey is YQUAQMWVGOMVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7(14)10(11)13-12-8-3-5-9(15-2)6-4-8/h3-6,12H,1-2H3,(H2,11,13).
What are the key properties of N'-(4-methoxyanilino)-2-oxopropanimidamide?
N'-(4-methoxyanilino)-2-oxopropanimidamide has a molecular weight of 207.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyanilino)-2-oxopropanimidamide is sourced from PubChem (CID 6340122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).