N-(5-diphenoxyphosphorylpentyl)benzamide

C24H26NO4P — CID 71323655

IUPACN-(5-diphenoxyphosphorylpentyl)benzamide
SMILESO=C(NCCCCCP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C24H26NO4P/c26-24(21-13-5-1-6-14-21)25-19-11-4-12-20-30(27,28-22-15-7-2-8-16-22)29-23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,25,26)
InChIKeyIYZKHFAAAUGACH-UHFFFAOYSA-N
MW423.45 g/mol
LogP5.94
Rot. Bonds11

About N-(5-diphenoxyphosphorylpentyl)benzamide

N-(5-diphenoxyphosphorylpentyl)benzamide (PubChem CID 71323655) has the molecular formula C24H26NO4P and a molecular weight of 423.45 g/mol. Its IUPAC name is N-(5-diphenoxyphosphorylpentyl)benzamide.

Molecular Properties

Compound NameN-(5-diphenoxyphosphorylpentyl)benzamide
PubChem CID71323655
Molecular FormulaC24H26NO4P
Molecular Weight423.45 g/mol
Exact Mass423.16
IUPAC NameN-(5-diphenoxyphosphorylpentyl)benzamide
SMILESO=C(NCCCCCP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C24H26NO4P/c26-24(21-13-5-1-6-14-21)25-19-11-4-12-20-30(27,28-22-15-7-2-8-16-22)29-23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,25,26)
InChIKeyIYZKHFAAAUGACH-UHFFFAOYSA-N
XLogP5.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.45
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-benzamidopropylphosphonic acid
CID 59131688
N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
CID 11482903
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
trimethylsilyl 10-benzamidodecanoate
CID 10808726
S-[2-(6-benzamidohexylamino)-2-oxoethyl] ethanethioate
CID 58608910
methyl 4-benzamidobutanoate
CID 13197711
5-benzamidopentyl selenocyanate
CID 141484233
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-[5-(diaminomethylideneamino)pentyl]benzamide
CID 21298945
3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
CID 17233441
benzyl N-(2-diphenoxyphosphorylethyl)carbamate
CID 59131482
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208

Frequently Asked Questions

What is the IUPAC name of N-(5-diphenoxyphosphorylpentyl)benzamide?
The IUPAC name of N-(5-diphenoxyphosphorylpentyl)benzamide (CID 71323655) is N-(5-diphenoxyphosphorylpentyl)benzamide.
What is the SMILES notation for N-(5-diphenoxyphosphorylpentyl)benzamide?
The canonical SMILES for N-(5-diphenoxyphosphorylpentyl)benzamide is O=C(NCCCCCP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1.
What is the InChIKey of N-(5-diphenoxyphosphorylpentyl)benzamide?
The InChIKey is IYZKHFAAAUGACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26NO4P/c26-24(21-13-5-1-6-14-21)25-19-11-4-12-20-30(27,28-22-15-7-2-8-16-22)29-23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,25,26).
What are the key properties of N-(5-diphenoxyphosphorylpentyl)benzamide?
N-(5-diphenoxyphosphorylpentyl)benzamide has a molecular weight of 423.45 g/mol, XLogP of 5.94, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-diphenoxyphosphorylpentyl)benzamide is sourced from PubChem (CID 71323655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).