4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide

C10H13N3O2 — CID 165437218

IUPAC4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(/C(N)=N\O)cc1
InChIInChI=1S/C10H13N3O2/c1-13(2)10(14)8-5-3-7(4-6-8)9(11)12-15/h3-6,15H,1-2H3,(H2,11,12)
InChIKeyPXYRWOZJIBGESG-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.48
Rot. Bonds2

About 4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide

4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide (PubChem CID 165437218) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
PubChem CID165437218
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(/C(N)=N\O)cc1
InChIInChI=1S/C10H13N3O2/c1-13(2)10(14)8-5-3-7(4-6-8)9(11)12-15/h3-6,15H,1-2H3,(H2,11,12)
InChIKeyPXYRWOZJIBGESG-UHFFFAOYSA-N
XLogP0.48
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.48
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 54884608
N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide
CID 76929707
N-(2-amino-2-oxoethyl)-N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 103103729
N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
CID 77003917
N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 81062151
N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-N-phenylbenzamide
CID 43333185
4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl chloride
CID 165349208
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 76912108
methyl 4-(N'-hydroxycarbamimidoyl)benzoate
CID 6815810
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 76904321
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N,2-dimethylbenzamide
CID 76979478

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide (CID 165437218) is 4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(/C(N)=N\O)cc1.
What is the InChIKey of 4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide?
The InChIKey is PXYRWOZJIBGESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13(2)10(14)8-5-3-7(4-6-8)9(11)12-15/h3-6,15H,1-2H3,(H2,11,12).
What are the key properties of 4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide?
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide has a molecular weight of 207.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 165437218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).