1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide

C19H25N2O3P — CID 15001480

IUPAC1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide
SMILESCCOP(=O)(OCC)/C(=N\c1ccc(C)cc1)Nc1ccc(C)cc1
InChIInChI=1S/C19H25N2O3P/c1-5-23-25(22,24-6-2)19(20-17-11-7-15(3)8-12-17)21-18-13-9-16(4)10-14-18/h7-14H,5-6H2,1-4H3,(H,20,21)
InChIKeyDXWDYBOELIVONX-UHFFFAOYSA-N
MW360.39 g/mol
LogP5.67
Rot. Bonds7

About 1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide

1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide (PubChem CID 15001480) has the molecular formula C19H25N2O3P and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide.

Molecular Properties

Compound Name1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide
PubChem CID15001480
Molecular FormulaC19H25N2O3P
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide
SMILESCCOP(=O)(OCC)/C(=N\c1ccc(C)cc1)Nc1ccc(C)cc1
InChIInChI=1S/C19H25N2O3P/c1-5-23-25(22,24-6-2)19(20-17-11-7-15(3)8-12-17)21-18-13-9-16(4)10-14-18/h7-14H,5-6H2,1-4H3,(H,20,21)
InChIKeyDXWDYBOELIVONX-UHFFFAOYSA-N
XLogP5.67
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 55.67
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'-(4-methylphenyl)carbamimidoyl] N-(4-methylphenyl)carbamate
CID 68500642
Selenourea, N,N'-bis(4-methylphenyl)-
CID 6329260
1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide
CID 4105169
1-diethoxyphosphoryl-N-(4-fluorophenyl)methanethioamide
CID 138971382
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl (E)-4-diethoxyphosphoryl-2-(4-methylphenyl)iminobut-3-enoate
CID 139267234
1-diethoxyphosphoryl-N-phenylmethanethioamide
CID 14508989
1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 3503064
2-diethoxyphosphoryl-1-(4-methylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
CID 135005313
1-(1-diethoxyphosphorylethenylsulfonyl)-4-methylbenzene
CID 23421835
(E)-5-diethoxyphosphoryl-1,1,1-trifluoro-N-(4-methylphenyl)pent-3-en-2-imine
CID 10713731
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide?
The IUPAC name of 1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide (CID 15001480) is 1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide.
What is the SMILES notation for 1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide?
The canonical SMILES for 1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide is CCOP(=O)(OCC)/C(=N\c1ccc(C)cc1)Nc1ccc(C)cc1.
What is the InChIKey of 1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide?
The InChIKey is DXWDYBOELIVONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N2O3P/c1-5-23-25(22,24-6-2)19(20-17-11-7-15(3)8-12-17)21-18-13-9-16(4)10-14-18/h7-14H,5-6H2,1-4H3,(H,20,21).
What are the key properties of 1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide?
1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide has a molecular weight of 360.39 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide is sourced from PubChem (CID 15001480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).