[(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea

C10H14N4O — CID 135898797

IUPAC[(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea
SMILESCN(C)/N=C(\NC(N)=O)c1ccccc1
InChIInChI=1S/C10H14N4O/c1-14(2)13-9(12-10(11)15)8-6-4-3-5-7-8/h3-7H,1-2H3,(H3,11,12,13,15)
InChIKeyHKBRQXACFYHHBG-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.58
Rot. Bonds2

About [(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea

[(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea (PubChem CID 135898797) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is [(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea.

Molecular Properties

Compound Name[(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea
PubChem CID135898797
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name[(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea
SMILESCN(C)/N=C(\NC(N)=O)c1ccccc1
InChIInChI=1S/C10H14N4O/c1-14(2)13-9(12-10(11)15)8-6-4-3-5-7-8/h3-7H,1-2H3,(H3,11,12,13,15)
InChIKeyHKBRQXACFYHHBG-UHFFFAOYSA-N
XLogP0.58
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-carbamoylbenzamide;urea
CID 157303801
2-(dimethylhydrazinylidene)-1,2-diphenylethanone
CID 73182544
N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide
CID 135603698
3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea
CID 135603545
N-methyl-N-[(E)-2-[(N-methyl-C-phenylcarbonimidoyl)amino]-1,2-diphenylethenyl]benzamide
CID 14969682
methyl (2E)-2-(dimethylhydrazinylidene)-4-oxo-4-phenylbutanoate
CID 23273307
[(Z)-[acetamido(phenyl)methylidene]amino] benzoate
CID 135525655
2-methyl-3-phenylbut-2-enediamide
CID 71247026
3-(benzenecarbonothioyl)-1,1-dimethylurea
CID 13015436
methyl N-amino-N-benzoylcarbamate
CID 69339963
N-(carbamoylcarbamoyl)-N-phenylacetamide
CID 165346153
(N'-phenylsulfanylcarbamimidoyl)urea
CID 154427424

Frequently Asked Questions

What is the IUPAC name of [(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea?
The IUPAC name of [(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea (CID 135898797) is [(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea.
What is the SMILES notation for [(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea?
The canonical SMILES for [(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea is CN(C)/N=C(\NC(N)=O)c1ccccc1.
What is the InChIKey of [(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea?
The InChIKey is HKBRQXACFYHHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-14(2)13-9(12-10(11)15)8-6-4-3-5-7-8/h3-7H,1-2H3,(H3,11,12,13,15).
What are the key properties of [(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea?
[(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea has a molecular weight of 206.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea is sourced from PubChem (CID 135898797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).