N,N'-bis(phenylmethoxy)benzenecarboximidamide

C21H20N2O2 — CID 91492110

IUPACN,N'-bis(phenylmethoxy)benzenecarboximidamide
SMILESc1ccc(CON=C(NOCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c1-4-10-18(11-5-1)16-24-22-21(20-14-8-3-9-15-20)23-25-17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,23)
InChIKeyNQTKNOKCFVXNDU-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.29
Rot. Bonds7

About N,N'-bis(phenylmethoxy)benzenecarboximidamide

N,N'-bis(phenylmethoxy)benzenecarboximidamide (PubChem CID 91492110) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N,N'-bis(phenylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN,N'-bis(phenylmethoxy)benzenecarboximidamide
PubChem CID91492110
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN,N'-bis(phenylmethoxy)benzenecarboximidamide
SMILESc1ccc(CON=C(NOCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c1-4-10-18(11-5-1)16-24-22-21(20-14-8-3-9-15-20)23-25-17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,23)
InChIKeyNQTKNOKCFVXNDU-UHFFFAOYSA-N
XLogP4.29
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(phenylmethoxy)benzenecarboximidamide?
The IUPAC name of N,N'-bis(phenylmethoxy)benzenecarboximidamide (CID 91492110) is N,N'-bis(phenylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N,N'-bis(phenylmethoxy)benzenecarboximidamide?
The canonical SMILES for N,N'-bis(phenylmethoxy)benzenecarboximidamide is c1ccc(CON=C(NOCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N'-bis(phenylmethoxy)benzenecarboximidamide?
The InChIKey is NQTKNOKCFVXNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-4-10-18(11-5-1)16-24-22-21(20-14-8-3-9-15-20)23-25-17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,23).
What are the key properties of N,N'-bis(phenylmethoxy)benzenecarboximidamide?
N,N'-bis(phenylmethoxy)benzenecarboximidamide has a molecular weight of 332.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(phenylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 91492110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).