[4-(propanoylamino)phenyl]methylphosphonic acid

C10H14NO4P — CID 143490862

IUPAC[4-(propanoylamino)phenyl]methylphosphonic acid
SMILESCCC(=O)Nc1ccc(CP(=O)(O)O)cc1
InChIInChI=1S/C10H14NO4P/c1-2-10(12)11-9-5-3-8(4-6-9)7-16(13,14)15/h3-6H,2,7H2,1H3,(H,11,12)(H2,13,14,15)
InChIKeyCXNVJMIUJYRZOE-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.71
Rot. Bonds4

About [4-(propanoylamino)phenyl]methylphosphonic acid

[4-(propanoylamino)phenyl]methylphosphonic acid (PubChem CID 143490862) has the molecular formula C10H14NO4P and a molecular weight of 243.20 g/mol. Its IUPAC name is [4-(propanoylamino)phenyl]methylphosphonic acid.

Molecular Properties

Compound Name[4-(propanoylamino)phenyl]methylphosphonic acid
PubChem CID143490862
Molecular FormulaC10H14NO4P
Molecular Weight243.20 g/mol
Exact Mass243.07
IUPAC Name[4-(propanoylamino)phenyl]methylphosphonic acid
SMILESCCC(=O)Nc1ccc(CP(=O)(O)O)cc1
InChIInChI=1S/C10H14NO4P/c1-2-10(12)11-9-5-3-8(4-6-9)7-16(13,14)15/h3-6H,2,7H2,1H3,(H,11,12)(H2,13,14,15)
InChIKeyCXNVJMIUJYRZOE-UHFFFAOYSA-N
XLogP1.71
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(methylamino)phenyl]methylphosphonic acid
CID 70930648
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
S-methyl 4-(propanoylamino)benzenecarbothioate
CID 142069454
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
ethane;methane;N-phenylpropanamide
CID 159778408
2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride
CID 87467855
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
2-methoxy-3-[4-(propanoylamino)phenyl]propanoic acid
CID 155057390
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881

Frequently Asked Questions

What is the IUPAC name of [4-(propanoylamino)phenyl]methylphosphonic acid?
The IUPAC name of [4-(propanoylamino)phenyl]methylphosphonic acid (CID 143490862) is [4-(propanoylamino)phenyl]methylphosphonic acid.
What is the SMILES notation for [4-(propanoylamino)phenyl]methylphosphonic acid?
The canonical SMILES for [4-(propanoylamino)phenyl]methylphosphonic acid is CCC(=O)Nc1ccc(CP(=O)(O)O)cc1.
What is the InChIKey of [4-(propanoylamino)phenyl]methylphosphonic acid?
The InChIKey is CXNVJMIUJYRZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO4P/c1-2-10(12)11-9-5-3-8(4-6-9)7-16(13,14)15/h3-6H,2,7H2,1H3,(H,11,12)(H2,13,14,15).
What are the key properties of [4-(propanoylamino)phenyl]methylphosphonic acid?
[4-(propanoylamino)phenyl]methylphosphonic acid has a molecular weight of 243.20 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propanoylamino)phenyl]methylphosphonic acid is sourced from PubChem (CID 143490862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).