methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate

C16H19N2O4P — CID 156595368

IUPACmethyl N'-bis(phenylmethoxy)phosphorylcarbamimidate
SMILESCO/C(N)=N/P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H19N2O4P/c1-20-16(17)18-23(19,21-12-14-8-4-2-5-9-14)22-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,17,18,19)
InChIKeyNZJACRWPBCKCTA-UHFFFAOYSA-N
MW334.31 g/mol
LogP3.49
Rot. Bonds7

About methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate

methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate (PubChem CID 156595368) has the molecular formula C16H19N2O4P and a molecular weight of 334.31 g/mol. Its IUPAC name is methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate.

Molecular Properties

Compound Namemethyl N'-bis(phenylmethoxy)phosphorylcarbamimidate
PubChem CID156595368
Molecular FormulaC16H19N2O4P
Molecular Weight334.31 g/mol
Exact Mass334.11
IUPAC Namemethyl N'-bis(phenylmethoxy)phosphorylcarbamimidate
SMILESCO/C(N)=N/P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H19N2O4P/c1-20-16(17)18-23(19,21-12-14-8-4-2-5-9-14)22-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,17,18,19)
InChIKeyNZJACRWPBCKCTA-UHFFFAOYSA-N
XLogP3.49
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-bis(phenylmethoxy)phosphoryl-N-phenylbenzenecarboximidamide
CID 177448531
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
dibenzyl hydrogen phosphate;silver
CID 85301331
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
[phenylmethoxy(prop-1-enyl)phosphoryl]oxymethylbenzene
CID 72790570
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
(E)-1-bis(phenylmethoxy)phosphorylbut-2-en-1-one
CID 11566124
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908

Frequently Asked Questions

What is the IUPAC name of methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate?
The IUPAC name of methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate (CID 156595368) is methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate.
What is the SMILES notation for methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate?
The canonical SMILES for methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate is CO/C(N)=N/P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate?
The InChIKey is NZJACRWPBCKCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2O4P/c1-20-16(17)18-23(19,21-12-14-8-4-2-5-9-14)22-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,17,18,19).
What are the key properties of methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate?
methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate has a molecular weight of 334.31 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-bis(phenylmethoxy)phosphorylcarbamimidate is sourced from PubChem (CID 156595368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).