N'-trityloxyethanimidamide

C21H20N2O — CID 5477852

IUPACN'-trityloxyethanimidamide
SMILESC/C(N)=N\OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O/c1-17(22)23-24-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3,(H2,22,23)
InChIKeyDYARXNMLIMAUCA-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.29
Rot. Bonds5

About N'-trityloxyethanimidamide

N'-trityloxyethanimidamide (PubChem CID 5477852) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N'-trityloxyethanimidamide.

Molecular Properties

Compound NameN'-trityloxyethanimidamide
PubChem CID5477852
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN'-trityloxyethanimidamide
SMILESC/C(N)=N\OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O/c1-17(22)23-24-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3,(H2,22,23)
InChIKeyDYARXNMLIMAUCA-UHFFFAOYSA-N
XLogP4.29
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.29
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-trityloxyethanimidamide?
The IUPAC name of N'-trityloxyethanimidamide (CID 5477852) is N'-trityloxyethanimidamide.
What is the SMILES notation for N'-trityloxyethanimidamide?
The canonical SMILES for N'-trityloxyethanimidamide is C/C(N)=N\OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-trityloxyethanimidamide?
The InChIKey is DYARXNMLIMAUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-17(22)23-24-21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3,(H2,22,23).
What are the key properties of N'-trityloxyethanimidamide?
N'-trityloxyethanimidamide has a molecular weight of 316.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-trityloxyethanimidamide is sourced from PubChem (CID 5477852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).