N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide

C8H16NO4P — CID 14924309

IUPACN-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide
SMILESCOP(=O)(/C=C/C(C)NC(C)=O)OC
InChIInChI=1S/C8H16NO4P/c1-7(9-8(2)10)5-6-14(11,12-3)13-4/h5-7H,1-4H3,(H,9,10)/b6-5+
InChIKeyVJLXVUBIWOBCCO-AATRIKPKSA-N
MW221.19 g/mol
LogP1.51
Rot. Bonds5

About N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide

N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide (PubChem CID 14924309) has the molecular formula C8H16NO4P and a molecular weight of 221.19 g/mol. Its IUPAC name is N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide
PubChem CID14924309
Molecular FormulaC8H16NO4P
Molecular Weight221.19 g/mol
Exact Mass221.08
IUPAC NameN-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide
SMILESCOP(=O)(/C=C/C(C)NC(C)=O)OC
InChIInChI=1S/C8H16NO4P/c1-7(9-8(2)10)5-6-14(11,12-3)13-4/h5-7H,1-4H3,(H,9,10)/b6-5+
InChIKeyVJLXVUBIWOBCCO-AATRIKPKSA-N
XLogP1.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.51
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-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide?
The IUPAC name of N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide (CID 14924309) is N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide is COP(=O)(/C=C/C(C)NC(C)=O)OC.
What is the InChIKey of N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide?
The InChIKey is VJLXVUBIWOBCCO-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16NO4P/c1-7(9-8(2)10)5-6-14(11,12-3)13-4/h5-7H,1-4H3,(H,9,10)/b6-5+.
What are the key properties of N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide?
N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide has a molecular weight of 221.19 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-dimethoxyphosphorylbut-3-en-2-yl]acetamide is sourced from PubChem (CID 14924309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).