N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline

C24H28NO3P — CID 2313169

IUPACN-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline
SMILESCc1ccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C24H28NO3P/c1-16-13-14-22(19(4)15-16)25-29(26,27-23-11-7-9-17(2)20(23)5)28-24-12-8-10-18(3)21(24)6/h7-15H,1-6H3,(H,25,26)
InChIKeyOGIPPVVWZQHABA-UHFFFAOYSA-N
MW409.47 g/mol
LogP7.22
Rot. Bonds6

About N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline

N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline (PubChem CID 2313169) has the molecular formula C24H28NO3P and a molecular weight of 409.47 g/mol. Its IUPAC name is N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline.

Molecular Properties

Compound NameN-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline
PubChem CID2313169
Molecular FormulaC24H28NO3P
Molecular Weight409.47 g/mol
Exact Mass409.18
IUPAC NameN-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline
SMILESCc1ccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C24H28NO3P/c1-16-13-14-22(19(4)15-16)25-29(26,27-23-11-7-9-17(2)20(23)5)28-24-12-8-10-18(3)21(24)6/h7-15H,1-6H3,(H,25,26)
InChIKeyOGIPPVVWZQHABA-UHFFFAOYSA-N
XLogP7.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.47
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline?
The IUPAC name of N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline (CID 2313169) is N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline.
What is the SMILES notation for N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline?
The canonical SMILES for N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline is Cc1ccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)c(C)c1.
What is the InChIKey of N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline?
The InChIKey is OGIPPVVWZQHABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NO3P/c1-16-13-14-22(19(4)15-16)25-29(26,27-23-11-7-9-17(2)20(23)5)28-24-12-8-10-18(3)21(24)6/h7-15H,1-6H3,(H,25,26).
What are the key properties of N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline?
N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline has a molecular weight of 409.47 g/mol, XLogP of 7.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2,3-dimethylphenoxy)phosphoryl-2,4-dimethylaniline is sourced from PubChem (CID 2313169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).