N-diphenylphosphoryl-N-propan-2-ylpropan-2-amine

C18H24NOP — CID 3722461

IUPACN-diphenylphosphoryl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NOP/c1-15(2)19(16(3)4)21(20,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3
InChIKeyDOUWMTROIMIUBU-UHFFFAOYSA-N
MW301.37 g/mol
LogP4.03
Rot. Bonds5

About N-diphenylphosphoryl-N-propan-2-ylpropan-2-amine

N-diphenylphosphoryl-N-propan-2-ylpropan-2-amine (PubChem CID 3722461) has the molecular formula C18H24NOP and a molecular weight of 301.37 g/mol. Its IUPAC name is N-diphenylphosphoryl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-diphenylphosphoryl-N-propan-2-ylpropan-2-amine
PubChem CID3722461
Molecular FormulaC18H24NOP
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-diphenylphosphoryl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NOP/c1-15(2)19(16(3)4)21(20,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3
InChIKeyDOUWMTROIMIUBU-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-diphenylphosphoryl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-diphenylphosphoryl-N-propan-2-ylpropan-2-amine (CID 3722461) is N-diphenylphosphoryl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-diphenylphosphoryl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-diphenylphosphoryl-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphoryl-N-propan-2-ylpropan-2-amine?
The InChIKey is DOUWMTROIMIUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NOP/c1-15(2)19(16(3)4)21(20,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3.
What are the key properties of N-diphenylphosphoryl-N-propan-2-ylpropan-2-amine?
N-diphenylphosphoryl-N-propan-2-ylpropan-2-amine has a molecular weight of 301.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 3722461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).