N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline

C24H28NOP — CID 15533809

IUPACN-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline
SMILESCCC(CP(=O)(c1ccccc1)c1ccccc1)N(C)c1ccc(C)cc1
InChIInChI=1S/C24H28NOP/c1-4-21(25(3)22-17-15-20(2)16-18-22)19-27(26,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,21H,4,19H2,1-3H3
InChIKeyBISJAIYFXANQFH-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.22
Rot. Bonds7

About N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline

N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline (PubChem CID 15533809) has the molecular formula C24H28NOP and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline.

Molecular Properties

Compound NameN-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline
PubChem CID15533809
Molecular FormulaC24H28NOP
Molecular Weight377.47 g/mol
Exact Mass377.19
IUPAC NameN-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline
SMILESCCC(CP(=O)(c1ccccc1)c1ccccc1)N(C)c1ccc(C)cc1
InChIInChI=1S/C24H28NOP/c1-4-21(25(3)22-17-15-20(2)16-18-22)19-27(26,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,21H,4,19H2,1-3H3
InChIKeyBISJAIYFXANQFH-UHFFFAOYSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline?
The IUPAC name of N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline (CID 15533809) is N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline.
What is the SMILES notation for N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline?
The canonical SMILES for N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline is CCC(CP(=O)(c1ccccc1)c1ccccc1)N(C)c1ccc(C)cc1.
What is the InChIKey of N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline?
The InChIKey is BISJAIYFXANQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NOP/c1-4-21(25(3)22-17-15-20(2)16-18-22)19-27(26,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,21H,4,19H2,1-3H3.
What are the key properties of N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline?
N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline has a molecular weight of 377.47 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-diphenylphosphorylbutan-2-yl)-N,4-dimethylaniline is sourced from PubChem (CID 15533809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).