2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide

C23H25N2OP — CID 102181081

IUPAC2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide
SMILESCc1ccccc1P(c1ccccc1)c1cccc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C23H25N2OP/c1-17-11-8-9-14-19(17)27(18-12-6-5-7-13-18)21-16-10-15-20(24-21)25-22(26)23(2,3)4/h5-16H,1-4H3,(H,24,25,26)
InChIKeyVJGWKYGLSWFKAQ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.13
Rot. Bonds4

About 2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide

2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide (PubChem CID 102181081) has the molecular formula C23H25N2OP and a molecular weight of 376.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide
PubChem CID102181081
Molecular FormulaC23H25N2OP
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide
SMILESCc1ccccc1P(c1ccccc1)c1cccc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C23H25N2OP/c1-17-11-8-9-14-19(17)27(18-12-6-5-7-13-18)21-16-10-15-20(24-21)25-22(26)23(2,3)4/h5-16H,1-4H3,(H,24,25,26)
InChIKeyVJGWKYGLSWFKAQ-UHFFFAOYSA-N
XLogP4.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.13
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 2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide (CID 102181081) is 2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide is Cc1ccccc1P(c1ccccc1)c1cccc(NC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide?
The InChIKey is VJGWKYGLSWFKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2OP/c1-17-11-8-9-14-19(17)27(18-12-6-5-7-13-18)21-16-10-15-20(24-21)25-22(26)23(2,3)4/h5-16H,1-4H3,(H,24,25,26).
What are the key properties of 2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide?
2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide has a molecular weight of 376.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-[(2-methylphenyl)-phenylphosphanyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 102181081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).