N-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide

C16H24NO5P — CID 11024294

IUPACN-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide
SMILESCOP(=O)(OC)[C@](C/C=C/c1ccccc1)(NC(C)=O)[C@@H](C)O
InChIInChI=1S/C16H24NO5P/c1-13(18)16(17-14(2)19,23(20,21-3)22-4)12-8-11-15-9-6-5-7-10-15/h5-11,13,18H,12H2,1-4H3,(H,17,19)/b11-8+/t13-,16+/m1/s1
InChIKeyXSRFPGHGQOVMGB-HDEOUBMNSA-N
MW341.34 g/mol
LogP2.79
Rot. Bonds8

About N-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide

N-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide (PubChem CID 11024294) has the molecular formula C16H24NO5P and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide.

Molecular Properties

Compound NameN-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide
PubChem CID11024294
Molecular FormulaC16H24NO5P
Molecular Weight341.34 g/mol
Exact Mass341.14
IUPAC NameN-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide
SMILESCOP(=O)(OC)[C@](C/C=C/c1ccccc1)(NC(C)=O)[C@@H](C)O
InChIInChI=1S/C16H24NO5P/c1-13(18)16(17-14(2)19,23(20,21-3)22-4)12-8-11-15-9-6-5-7-10-15/h5-11,13,18H,12H2,1-4H3,(H,17,19)/b11-8+/t13-,16+/m1/s1
InChIKeyXSRFPGHGQOVMGB-HDEOUBMNSA-N
XLogP2.79
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide?
The IUPAC name of N-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide (CID 11024294) is N-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide.
What is the SMILES notation for N-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide?
The canonical SMILES for N-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide is COP(=O)(OC)[C@](C/C=C/c1ccccc1)(NC(C)=O)[C@@H](C)O.
What is the InChIKey of N-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide?
The InChIKey is XSRFPGHGQOVMGB-HDEOUBMNSA-N. The full InChI is InChI=1S/C16H24NO5P/c1-13(18)16(17-14(2)19,23(20,21-3)22-4)12-8-11-15-9-6-5-7-10-15/h5-11,13,18H,12H2,1-4H3,(H,17,19)/b11-8+/t13-,16+/m1/s1.
What are the key properties of N-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide?
N-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide is sourced from PubChem (CID 11024294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).