ethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid

C18H24N3O5P — CID 88950371

IUPACethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid
SMILESCCP(=O)(O)OCc1cccc(CNC(=O)NCc2cccc(CO)c2)n1
InChIInChI=1S/C18H24N3O5P/c1-2-27(24,25)26-13-17-8-4-7-16(21-17)11-20-18(23)19-10-14-5-3-6-15(9-14)12-22/h3-9,22H,2,10-13H2,1H3,(H,24,25)(H2,19,20,23)
InChIKeyRQAHUXNIUDLYPT-UHFFFAOYSA-N
MW393.38 g/mol
LogP2.30
Rot. Bonds9

About ethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid

ethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid (PubChem CID 88950371) has the molecular formula C18H24N3O5P and a molecular weight of 393.38 g/mol. Its IUPAC name is ethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid.

Molecular Properties

Compound Nameethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid
PubChem CID88950371
Molecular FormulaC18H24N3O5P
Molecular Weight393.38 g/mol
Exact Mass393.15
IUPAC Nameethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid
SMILESCCP(=O)(O)OCc1cccc(CNC(=O)NCc2cccc(CO)c2)n1
InChIInChI=1S/C18H24N3O5P/c1-2-27(24,25)26-13-17-8-4-7-16(21-17)11-20-18(23)19-10-14-5-3-6-15(9-14)12-22/h3-9,22H,2,10-13H2,1H3,(H,24,25)(H2,19,20,23)
InChIKeyRQAHUXNIUDLYPT-UHFFFAOYSA-N
XLogP2.30
TPSA120.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea
CID 125499687
N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide
CID 115532885
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 63311259
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 79465874
1-methyl-3-[[3-(methylaminomethyl)phenyl]methyl]urea
CID 23563356
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55204470
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide
CID 122559939

Frequently Asked Questions

What is the IUPAC name of ethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid?
The IUPAC name of ethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid (CID 88950371) is ethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid.
What is the SMILES notation for ethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid?
The canonical SMILES for ethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid is CCP(=O)(O)OCc1cccc(CNC(=O)NCc2cccc(CO)c2)n1.
What is the InChIKey of ethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid?
The InChIKey is RQAHUXNIUDLYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N3O5P/c1-2-27(24,25)26-13-17-8-4-7-16(21-17)11-20-18(23)19-10-14-5-3-6-15(9-14)12-22/h3-9,22H,2,10-13H2,1H3,(H,24,25)(H2,19,20,23).
What are the key properties of ethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid?
ethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid has a molecular weight of 393.38 g/mol, XLogP of 2.30, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[[6-[[[3-(hydroxymethyl)phenyl]methylcarbamoylamino]methyl]-2-pyridinyl]methoxy]phosphinic acid is sourced from PubChem (CID 88950371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).