N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide

C27H25N2O3P — CID 177448531

IUPACN'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide
SMILESO=P(/N=C(/Nc1ccccc1)c1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C27H25N2O3P/c30-33(31-21-23-13-5-1-6-14-23,32-22-24-15-7-2-8-16-24)29-27(25-17-9-3-10-18-25)28-26-19-11-4-12-20-26/h1-20H,21-22H2,(H,28,29,30)
InChIKeyCGKCIQKAACRCSL-UHFFFAOYSA-N
MW456.48 g/mol
LogP7.09
Rot. Bonds9

About N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide

N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide (PubChem CID 177448531) has the molecular formula C27H25N2O3P and a molecular weight of 456.48 g/mol. Its IUPAC name is N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide
PubChem CID177448531
Molecular FormulaC27H25N2O3P
Molecular Weight456.48 g/mol
Exact Mass456.16
IUPAC NameN'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide
SMILESO=P(/N=C(/Nc1ccccc1)c1ccccc1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C27H25N2O3P/c30-33(31-21-23-13-5-1-6-14-23,32-22-24-15-7-2-8-16-24)29-27(25-17-9-3-10-18-25)28-26-19-11-4-12-20-26/h1-20H,21-22H2,(H,28,29,30)
InChIKeyCGKCIQKAACRCSL-UHFFFAOYSA-N
XLogP7.09
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.48
LogP ≤ 57.09
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate
CID 156595368
dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate
CID 121427861
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
[4-(phenylcarbamoyl)phenyl]methyl nitrate
CID 56659561
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
1-[anilino(phenyl)methylidene]-3-phenylthiourea
CID 2853502
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581

Frequently Asked Questions

What is the IUPAC name of N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide?
The IUPAC name of N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide (CID 177448531) is N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide?
The canonical SMILES for N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide is O=P(/N=C(/Nc1ccccc1)c1ccccc1)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide?
The InChIKey is CGKCIQKAACRCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N2O3P/c30-33(31-21-23-13-5-1-6-14-23,32-22-24-15-7-2-8-16-24)29-27(25-17-9-3-10-18-25)28-26-19-11-4-12-20-26/h1-20H,21-22H2,(H,28,29,30).
What are the key properties of N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide?
N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide has a molecular weight of 456.48 g/mol, XLogP of 7.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 177448531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).