N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide

C17H26NO5P — CID 146000844

IUPACN-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide
SMILESCCOP(=O)(/C=C/CN(O)C(=O)CCCc1ccccc1)OCC
InChIInChI=1S/C17H26NO5P/c1-3-22-24(21,23-4-2)15-9-14-18(20)17(19)13-8-12-16-10-6-5-7-11-16/h5-7,9-11,15,20H,3-4,8,12-14H2,1-2H3/b15-9+
InChIKeyNWKTYSZZVDDODT-OQLLNIDSSA-N
MW355.37 g/mol
LogP4.01
Rot. Bonds11

About N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide

N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide (PubChem CID 146000844) has the molecular formula C17H26NO5P and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide
PubChem CID146000844
Molecular FormulaC17H26NO5P
Molecular Weight355.37 g/mol
Exact Mass355.15
IUPAC NameN-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide
SMILESCCOP(=O)(/C=C/CN(O)C(=O)CCCc1ccccc1)OCC
InChIInChI=1S/C17H26NO5P/c1-3-22-24(21,23-4-2)15-9-14-18(20)17(19)13-8-12-16-10-6-5-7-11-16/h5-7,9-11,15,20H,3-4,8,12-14H2,1-2H3/b15-9+
InChIKeyNWKTYSZZVDDODT-OQLLNIDSSA-N
XLogP4.01
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethoxy-[[ethoxy-[3-[hydroxy(3-phenylpropanoyl)amino]propyl]phosphoryl]oxymethoxy]-[3-[hydroxy(4-phenylbutanoyl)amino]propyl]phosphanium
CID 123314629
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
(E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine
CID 20683659
N-(2-bromoethyl)-4-phenyl-N-propylbutanamide
CID 80660803
(E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol
CID 11087304
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 78876109
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 78884220
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
CID 113337561
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide?
The IUPAC name of N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide (CID 146000844) is N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide.
What is the SMILES notation for N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide?
The canonical SMILES for N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide is CCOP(=O)(/C=C/CN(O)C(=O)CCCc1ccccc1)OCC.
What is the InChIKey of N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide?
The InChIKey is NWKTYSZZVDDODT-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H26NO5P/c1-3-22-24(21,23-4-2)15-9-14-18(20)17(19)13-8-12-16-10-6-5-7-11-16/h5-7,9-11,15,20H,3-4,8,12-14H2,1-2H3/b15-9+.
What are the key properties of N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide?
N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide has a molecular weight of 355.37 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide is sourced from PubChem (CID 146000844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).