N'-benzyl-N-methoxybenzenecarboximidamide

C15H16N2O — CID 118529903

IUPACN'-benzyl-N-methoxybenzenecarboximidamide
SMILESCON/C(=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-18-17-15(14-10-6-3-7-11-14)16-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,16,17)
InChIKeyYKZDTSKSQCNRDZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.78
Rot. Bonds4

About N'-benzyl-N-methoxybenzenecarboximidamide

N'-benzyl-N-methoxybenzenecarboximidamide (PubChem CID 118529903) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N'-benzyl-N-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-methoxybenzenecarboximidamide
PubChem CID118529903
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN'-benzyl-N-methoxybenzenecarboximidamide
SMILESCON/C(=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-18-17-15(14-10-6-3-7-11-14)16-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,16,17)
InChIKeyYKZDTSKSQCNRDZ-UHFFFAOYSA-N
XLogP2.78
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

benzamido 3-benzyliminobutanoate
CID 7457656
[[N-benzyl-C-(3-nitrophenyl)carbonimidoyl]amino] acetate
CID 6611838
N-benzyl-3-methoxy-3-methylbutan-2-imine
CID 163320945
3-benzyliminobutanoic acid
CID 23175618
methyl 2-benzylimino-2-chloroacetate
CID 159056583
N'-benzylpropanimidamide
CID 45122449
N'-benzyl-N,N-dimethylethanimidamide
CID 525276
2-benzyl-1-propan-2-yloxyguanidine
CID 130964833
phenyl N-benzylbenzenecarboximidate
CID 4210228
N-(N-acetyl-N'-benzylcarbamimidoyl)acetamide
CID 121007598
1-amino-2-benzyl-3-(2-methoxyethyl)guanidine
CID 116511560
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-methoxybenzenecarboximidamide?
The IUPAC name of N'-benzyl-N-methoxybenzenecarboximidamide (CID 118529903) is N'-benzyl-N-methoxybenzenecarboximidamide.
What is the SMILES notation for N'-benzyl-N-methoxybenzenecarboximidamide?
The canonical SMILES for N'-benzyl-N-methoxybenzenecarboximidamide is CON/C(=N\Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-N-methoxybenzenecarboximidamide?
The InChIKey is YKZDTSKSQCNRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-18-17-15(14-10-6-3-7-11-14)16-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,16,17).
What are the key properties of N'-benzyl-N-methoxybenzenecarboximidamide?
N'-benzyl-N-methoxybenzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-methoxybenzenecarboximidamide is sourced from PubChem (CID 118529903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).