N-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide

C16H26NO4P — CID 4295870

IUPACN-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide
SMILESCC(C)OP(=O)(OC(C)C)C(C)NC(=O)Cc1ccccc1
InChIInChI=1S/C16H26NO4P/c1-12(2)20-22(19,21-13(3)4)14(5)17-16(18)11-15-9-7-6-8-10-15/h6-10,12-14H,11H2,1-5H3,(H,17,18)
InChIKeyGMHPDMRUFOZERK-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.73
Rot. Bonds8

About N-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide

N-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide (PubChem CID 4295870) has the molecular formula C16H26NO4P and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide
PubChem CID4295870
Molecular FormulaC16H26NO4P
Molecular Weight327.36 g/mol
Exact Mass327.16
IUPAC NameN-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide
SMILESCC(C)OP(=O)(OC(C)C)C(C)NC(=O)Cc1ccccc1
InChIInChI=1S/C16H26NO4P/c1-12(2)20-22(19,21-13(3)4)14(5)17-16(18)11-15-9-7-6-8-10-15/h6-10,12-14H,11H2,1-5H3,(H,17,18)
InChIKeyGMHPDMRUFOZERK-UHFFFAOYSA-N
XLogP3.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.73
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 N-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide?
The IUPAC name of N-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide (CID 4295870) is N-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide.
What is the SMILES notation for N-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide?
The canonical SMILES for N-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide is CC(C)OP(=O)(OC(C)C)C(C)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide?
The InChIKey is GMHPDMRUFOZERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26NO4P/c1-12(2)20-22(19,21-13(3)4)14(5)17-16(18)11-15-9-7-6-8-10-15/h6-10,12-14H,11H2,1-5H3,(H,17,18).
What are the key properties of N-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide?
N-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide has a molecular weight of 327.36 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-di(propan-2-yloxy)phosphorylethyl]-2-phenylacetamide is sourced from PubChem (CID 4295870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).