3-[ethoxy(phenyl)phosphoryl]propanamide

C11H16NO3P — CID 132529059

IUPAC3-[ethoxy(phenyl)phosphoryl]propanamide
SMILESCCOP(=O)(CCC(N)=O)c1ccccc1
InChIInChI=1S/C11H16NO3P/c1-2-15-16(14,9-8-11(12)13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,12,13)
InChIKeyJJISVTVWIQRMCI-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.50
Rot. Bonds6

About 3-[ethoxy(phenyl)phosphoryl]propanamide

3-[ethoxy(phenyl)phosphoryl]propanamide (PubChem CID 132529059) has the molecular formula C11H16NO3P and a molecular weight of 241.23 g/mol. Its IUPAC name is 3-[ethoxy(phenyl)phosphoryl]propanamide.

Molecular Properties

Compound Name3-[ethoxy(phenyl)phosphoryl]propanamide
PubChem CID132529059
Molecular FormulaC11H16NO3P
Molecular Weight241.23 g/mol
Exact Mass241.09
IUPAC Name3-[ethoxy(phenyl)phosphoryl]propanamide
SMILESCCOP(=O)(CCC(N)=O)c1ccccc1
InChIInChI=1S/C11H16NO3P/c1-2-15-16(14,9-8-11(12)13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,12,13)
InChIKeyJJISVTVWIQRMCI-UHFFFAOYSA-N
XLogP1.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate
CID 19708049
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448
3-[methoxy(phenyl)phosphoryl]propanoic acid
CID 141176838
[[4-[ethoxy(propyl)phosphoryl]phenyl]-phenylmethyl]carbamic acid
CID 89462180
butyl 3-[methoxy(phenyl)phosphoryl]propanoate
CID 139662468
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
4-[[ethoxy(phenyl)phosphoryl]methyl]morpholin-4-ium
CID 11864416
ethyl 2-(1,3-dioxoisoindol-2-yl)-3-[ethoxy(phenyl)phosphoryl]propanoate
CID 24830868
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
CID 23081786
(2S)-2-[[ethoxy(phenyl)phosphoryl]amino]-3-methylbutanoic acid
CID 71426419
1-[ethoxy(ethyl)phosphoryl]-4-(1-phenylethenyl)benzene
CID 170659353

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(phenyl)phosphoryl]propanamide?
The IUPAC name of 3-[ethoxy(phenyl)phosphoryl]propanamide (CID 132529059) is 3-[ethoxy(phenyl)phosphoryl]propanamide.
What is the SMILES notation for 3-[ethoxy(phenyl)phosphoryl]propanamide?
The canonical SMILES for 3-[ethoxy(phenyl)phosphoryl]propanamide is CCOP(=O)(CCC(N)=O)c1ccccc1.
What is the InChIKey of 3-[ethoxy(phenyl)phosphoryl]propanamide?
The InChIKey is JJISVTVWIQRMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO3P/c1-2-15-16(14,9-8-11(12)13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,12,13).
What are the key properties of 3-[ethoxy(phenyl)phosphoryl]propanamide?
3-[ethoxy(phenyl)phosphoryl]propanamide has a molecular weight of 241.23 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(phenyl)phosphoryl]propanamide is sourced from PubChem (CID 132529059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).