N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide

C12H16N4O2 — CID 4106726

IUPACN'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)NN=Cc1ccc(N(C)C)cc1
InChIInChI=1S/C12H16N4O2/c1-13-11(17)12(18)15-14-8-9-4-6-10(7-5-9)16(2)3/h4-8H,1-3H3,(H,13,17)(H,15,18)
InChIKeyFLZJNCZZQSPVIZ-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.05
Rot. Bonds3

About N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide

N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide (PubChem CID 4106726) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide.

Molecular Properties

Compound NameN'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
PubChem CID4106726
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)NN=Cc1ccc(N(C)C)cc1
InChIInChI=1S/C12H16N4O2/c1-13-11(17)12(18)15-14-8-9-4-6-10(7-5-9)16(2)3/h4-8H,1-3H3,(H,13,17)(H,15,18)
InChIKeyFLZJNCZZQSPVIZ-UHFFFAOYSA-N
XLogP-0.05
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.05
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135821314
N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-methyloxamide
CID 94844116
N-(3,4-dichlorophenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6247065
N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 21229401
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(3-fluorophenyl)oxamide
CID 4218592
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 19660151
N-(2,5-dimethoxyphenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6112689
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 3117787
N,N'-bis[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-ethylpropanediamide
CID 45356630

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide?
The IUPAC name of N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide (CID 4106726) is N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide.
What is the SMILES notation for N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide?
The canonical SMILES for N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide is CNC(=O)C(=O)NN=Cc1ccc(N(C)C)cc1.
What is the InChIKey of N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide?
The InChIKey is FLZJNCZZQSPVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-13-11(17)12(18)15-14-8-9-4-6-10(7-5-9)16(2)3/h4-8H,1-3H3,(H,13,17)(H,15,18).
What are the key properties of N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide?
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide has a molecular weight of 248.29 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide is sourced from PubChem (CID 4106726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).