1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide

C11H24NO4P — CID 4204254

IUPAC1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide
SMILESCCN(CC)C(=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H24NO4P/c1-7-12(8-2)11(13)17(14,15-9(3)4)16-10(5)6/h9-10H,7-8H2,1-6H3
InChIKeyHWXJNHWOYQIWNJ-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.49
Rot. Bonds7

About 1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide

1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide (PubChem CID 4204254) has the molecular formula C11H24NO4P and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide
PubChem CID4204254
Molecular FormulaC11H24NO4P
Molecular Weight265.29 g/mol
Exact Mass265.14
IUPAC Name1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide
SMILESCCN(CC)C(=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H24NO4P/c1-7-12(8-2)11(13)17(14,15-9(3)4)16-10(5)6/h9-10H,7-8H2,1-6H3
InChIKeyHWXJNHWOYQIWNJ-UHFFFAOYSA-N
XLogP3.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
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 1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide?
The IUPAC name of 1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide (CID 4204254) is 1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide?
The canonical SMILES for 1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide is CCN(CC)C(=O)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide?
The InChIKey is HWXJNHWOYQIWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO4P/c1-7-12(8-2)11(13)17(14,15-9(3)4)16-10(5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide?
1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide has a molecular weight of 265.29 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide is sourced from PubChem (CID 4204254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).