2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide

C13H28NO4P — CID 142721497

IUPAC2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C13H28NO4P/c1-9(2)8-14-13(15)12(7)19(16,17-10(3)4)18-11(5)6/h9-12H,8H2,1-7H3,(H,14,15)
InChIKeyDMCIDBRMSGRLCE-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.19
Rot. Bonds8

About 2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide

2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide (PubChem CID 142721497) has the molecular formula C13H28NO4P and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide
PubChem CID142721497
Molecular FormulaC13H28NO4P
Molecular Weight293.34 g/mol
Exact Mass293.18
IUPAC Name2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C13H28NO4P/c1-9(2)8-14-13(15)12(7)19(16,17-10(3)4)18-11(5)6/h9-12H,8H2,1-7H3,(H,14,15)
InChIKeyDMCIDBRMSGRLCE-UHFFFAOYSA-N
XLogP3.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide (CID 142721497) is 2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide?
The InChIKey is DMCIDBRMSGRLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28NO4P/c1-9(2)8-14-13(15)12(7)19(16,17-10(3)4)18-11(5)6/h9-12H,8H2,1-7H3,(H,14,15).
What are the key properties of 2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide?
2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide has a molecular weight of 293.34 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 142721497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).