N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide

C30H39N2OP — CID 87356862

IUPACN-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCCc1cc(CC)cc(P(c2cc(CC)cc(CC)c2)c2cccc(NC(=O)C(C)(C)C)n2)c1
InChIInChI=1S/C30H39N2OP/c1-8-21-15-22(9-2)18-25(17-21)34(26-19-23(10-3)16-24(11-4)20-26)28-14-12-13-27(31-28)32-29(33)30(5,6)7/h12-20H,8-11H2,1-7H3,(H,31,32,33)
InChIKeyXCEWRXIJGGWBHT-UHFFFAOYSA-N
MW474.63 g/mol
LogP6.07
Rot. Bonds8

About N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide

N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 87356862) has the molecular formula C30H39N2OP and a molecular weight of 474.63 g/mol. Its IUPAC name is N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID87356862
Molecular FormulaC30H39N2OP
Molecular Weight474.63 g/mol
Exact Mass474.28
IUPAC NameN-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCCc1cc(CC)cc(P(c2cc(CC)cc(CC)c2)c2cccc(NC(=O)C(C)(C)C)n2)c1
InChIInChI=1S/C30H39N2OP/c1-8-21-15-22(9-2)18-25(17-21)34(26-19-23(10-3)16-24(11-4)20-26)28-14-12-13-27(31-28)32-29(33)30(5,6)7/h12-20H,8-11H2,1-7H3,(H,31,32,33)
InChIKeyXCEWRXIJGGWBHT-UHFFFAOYSA-N
XLogP6.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide (CID 87356862) is N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide is CCc1cc(CC)cc(P(c2cc(CC)cc(CC)c2)c2cccc(NC(=O)C(C)(C)C)n2)c1.
What is the InChIKey of N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is XCEWRXIJGGWBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N2OP/c1-8-21-15-22(9-2)18-25(17-21)34(26-19-23(10-3)16-24(11-4)20-26)28-14-12-13-27(31-28)32-29(33)30(5,6)7/h12-20H,8-11H2,1-7H3,(H,31,32,33).
What are the key properties of N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide?
N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 474.63 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bis(3,5-diethylphenyl)phosphanyl-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 87356862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).