N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide

C24H32NO4P — CID 11350883

IUPACN-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide
SMILESCCCC/C(=C\P(=O)(OCC)OCC)C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32NO4P/c1-4-7-14-22(19-30(27,28-5-2)29-6-3)23(20-15-10-8-11-16-20)25-24(26)21-17-12-9-13-18-21/h8-13,15-19,23H,4-7,14H2,1-3H3,(H,25,26)/b22-19+
InChIKeyYZRLEKPAKNXUBN-ZBJSNUHESA-N
MW429.50 g/mol
LogP6.50
Rot. Bonds12

About N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide

N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide (PubChem CID 11350883) has the molecular formula C24H32NO4P and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide.

Molecular Properties

Compound NameN-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide
PubChem CID11350883
Molecular FormulaC24H32NO4P
Molecular Weight429.50 g/mol
Exact Mass429.21
IUPAC NameN-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide
SMILESCCCC/C(=C\P(=O)(OCC)OCC)C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32NO4P/c1-4-7-14-22(19-30(27,28-5-2)29-6-3)23(20-15-10-8-11-16-20)25-24(26)21-17-12-9-13-18-21/h8-13,15-19,23H,4-7,14H2,1-3H3,(H,25,26)/b22-19+
InChIKeyYZRLEKPAKNXUBN-ZBJSNUHESA-N
XLogP6.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(E,3E)-3-(diethoxyphosphorylmethylidene)hept-1-enyl]benzene
CID 134934285
ethyl 3-benzamido-2-oxo-3-phenylpropanoate
CID 11809094
(E,4E)-4-(diethoxyphosphorylmethylidene)-1-phenyloct-1-en-3-one
CID 11810245
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
[2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate
CID 55459412
N-[(1S)-1-diethoxyphosphoryl-2-oxoethyl]benzamide
CID 40537671
[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 92533089
butyl 2-benzamidopropanoate
CID 14654753
butyl (2S)-2-benzamidopropanoate
CID 14654754
ethyl (2S,3R)-3-benzamido-2-methylbutanoate
CID 162414540
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide?
The IUPAC name of N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide (CID 11350883) is N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide.
What is the SMILES notation for N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide?
The canonical SMILES for N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide is CCCC/C(=C\P(=O)(OCC)OCC)C(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide?
The InChIKey is YZRLEKPAKNXUBN-ZBJSNUHESA-N. The full InChI is InChI=1S/C24H32NO4P/c1-4-7-14-22(19-30(27,28-5-2)29-6-3)23(20-15-10-8-11-16-20)25-24(26)21-17-12-9-13-18-21/h8-13,15-19,23H,4-7,14H2,1-3H3,(H,25,26)/b22-19+.
What are the key properties of N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide?
N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide has a molecular weight of 429.50 g/mol, XLogP of 6.50, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-(diethoxyphosphorylmethylidene)-1-phenylhexyl]benzamide is sourced from PubChem (CID 11350883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).