methoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid

C20H24NO3P — CID 58600253

IUPACmethoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid
SMILESCOP(=O)(O)N(C)CCC=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C20H24NO3P/c1-21(25(22,23)24-2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3,(H,22,23)
InChIKeySEYKCMJJSRSBAI-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.29
Rot. Bonds5

About methoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid

methoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid (PubChem CID 58600253) has the molecular formula C20H24NO3P and a molecular weight of 357.39 g/mol. Its IUPAC name is methoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid.

Molecular Properties

Compound Namemethoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid
PubChem CID58600253
Molecular FormulaC20H24NO3P
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Namemethoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid
SMILESCOP(=O)(O)N(C)CCC=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C20H24NO3P/c1-21(25(22,23)24-2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3,(H,22,23)
InChIKeySEYKCMJJSRSBAI-UHFFFAOYSA-N
XLogP4.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid?
The IUPAC name of methoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid (CID 58600253) is methoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid.
What is the SMILES notation for methoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid?
The canonical SMILES for methoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid is COP(=O)(O)N(C)CCC=C1c2ccccc2CCc2ccccc21.
What is the InChIKey of methoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid?
The InChIKey is SEYKCMJJSRSBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24NO3P/c1-21(25(22,23)24-2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3,(H,22,23).
What are the key properties of methoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid?
methoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid has a molecular weight of 357.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]phosphonamidic acid is sourced from PubChem (CID 58600253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).