4-[ethoxy(ethyl)phosphoryl]oxybenzamide

C11H16NO4P — CID 3057421

IUPAC4-[ethoxy(ethyl)phosphoryl]oxybenzamide
SMILESCCOP(=O)(CC)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H16NO4P/c1-3-15-17(14,4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3,(H2,12,13)
InChIKeyUBNXGZRGACOTNW-UHFFFAOYSA-N
MW257.23 g/mol
LogP2.41
Rot. Bonds6

About 4-[ethoxy(ethyl)phosphoryl]oxybenzamide

4-[ethoxy(ethyl)phosphoryl]oxybenzamide (PubChem CID 3057421) has the molecular formula C11H16NO4P and a molecular weight of 257.23 g/mol. Its IUPAC name is 4-[ethoxy(ethyl)phosphoryl]oxybenzamide.

Molecular Properties

Compound Name4-[ethoxy(ethyl)phosphoryl]oxybenzamide
PubChem CID3057421
Molecular FormulaC11H16NO4P
Molecular Weight257.23 g/mol
Exact Mass257.08
IUPAC Name4-[ethoxy(ethyl)phosphoryl]oxybenzamide
SMILESCCOP(=O)(CC)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H16NO4P/c1-3-15-17(14,4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3,(H2,12,13)
InChIKeyUBNXGZRGACOTNW-UHFFFAOYSA-N
XLogP2.41
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 52.41
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

4-[4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxybenzoyl]benzamide
CID 21454421
4-[4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxybenzoyl]benzamide
CID 21454412
4-(4-ethoxyphenyl)benzamide
CID 163572533
[(4-acetylphenoxy)-ethoxyphosphoryl]formic acid
CID 57190144
4-(4-carbamoylphenoxy)benzamide
CID 156597124
benzamide;1,4-diethoxybenzene
CID 162120306
4-diethoxyphosphinothioyloxybenzoic acid
CID 91003120
1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene
CID 57117278
(4-diethoxyphosphoryloxyphenyl)methyl carbonochloridate
CID 131976846
4-(3-amino-5-ethoxyphenoxy)benzamide
CID 80748930
[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(ethyl)phosphoryl]oxybenzamide?
The IUPAC name of 4-[ethoxy(ethyl)phosphoryl]oxybenzamide (CID 3057421) is 4-[ethoxy(ethyl)phosphoryl]oxybenzamide.
What is the SMILES notation for 4-[ethoxy(ethyl)phosphoryl]oxybenzamide?
The canonical SMILES for 4-[ethoxy(ethyl)phosphoryl]oxybenzamide is CCOP(=O)(CC)Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[ethoxy(ethyl)phosphoryl]oxybenzamide?
The InChIKey is UBNXGZRGACOTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO4P/c1-3-15-17(14,4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of 4-[ethoxy(ethyl)phosphoryl]oxybenzamide?
4-[ethoxy(ethyl)phosphoryl]oxybenzamide has a molecular weight of 257.23 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(ethyl)phosphoryl]oxybenzamide is sourced from PubChem (CID 3057421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).