N-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide

C11H24NO3P — CID 177239778

IUPACN-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide
SMILESCOCC(C)(C)COCP(C)CNC(C)=O
InChIInChI=1S/C11H24NO3P/c1-10(13)12-8-16(5)9-15-7-11(2,3)6-14-4/h6-9H2,1-5H3,(H,12,13)
InChIKeyBXHUAFBGWDZQRD-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.84
Rot. Bonds8

About N-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide

N-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide (PubChem CID 177239778) has the molecular formula C11H24NO3P and a molecular weight of 249.29 g/mol. Its IUPAC name is N-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide
PubChem CID177239778
Molecular FormulaC11H24NO3P
Molecular Weight249.29 g/mol
Exact Mass249.15
IUPAC NameN-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide
SMILESCOCC(C)(C)COCP(C)CNC(C)=O
InChIInChI=1S/C11H24NO3P/c1-10(13)12-8-16(5)9-15-7-11(2,3)6-14-4/h6-9H2,1-5H3,(H,12,13)
InChIKeyBXHUAFBGWDZQRD-UHFFFAOYSA-N
XLogP1.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide?
The IUPAC name of N-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide (CID 177239778) is N-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide.
What is the SMILES notation for N-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide?
The canonical SMILES for N-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide is COCC(C)(C)COCP(C)CNC(C)=O.
What is the InChIKey of N-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide?
The InChIKey is BXHUAFBGWDZQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO3P/c1-10(13)12-8-16(5)9-15-7-11(2,3)6-14-4/h6-9H2,1-5H3,(H,12,13).
What are the key properties of N-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide?
N-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide has a molecular weight of 249.29 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3-methoxy-2,2-dimethylpropoxy)methyl-methylphosphanyl]methyl]acetamide is sourced from PubChem (CID 177239778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).