amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid

C35H50N5O8P — CID 175072276

About amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid

amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid (PubChem CID 175072276) has the molecular formula C35H50N5O8P and a molecular weight of 699.79 g/mol. Its IUPAC name is amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid
• PubChem CID: 175072276
• Molecular Formula: C35H50N5O8P
• Molecular Weight: 699.79 g/mol
• Exact Mass: 699.34
• IUPAC Name: amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid
• SMILES: CCCCCC(=O)NNCC(=O)NCC(=O)O.COc1ccc(C(OC(CCCNP(N)O)OC)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C25H31N2O4P.C10H19N3O4/c1-29-23-17-15-22(16-18-23)25(20-10-5-3-6-11-20,21-12-7-4-8-13-21)31-24(30-2)14-9-19-27-32(26)28;1-2-3-4-5-8(14)13-12-6-9(15)11-7-10(16)17/h3-8,10-13,15-18,24,27-28H,9,14,19,26H2,1-2H3;12H,2-7H2,1H3,(H,11,15)(H,13,14)(H,16,17)
• InChIKey: VKIDWEJNEOUMFV-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 193.50 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.79
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid?

The IUPAC name of amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid (CID 175072276) is amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid.

What is the SMILES notation for amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid?

The canonical SMILES for amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid is CCCCCC(=O)NNCC(=O)NCC(=O)O.COc1ccc(C(OC(CCCNP(N)O)OC)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid?

The InChIKey is VKIDWEJNEOUMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N2O4P.C10H19N3O4/c1-29-23-17-15-22(16-18-23)25(20-10-5-3-6-11-20,21-12-7-4-8-13-21)31-24(30-2)14-9-19-27-32(26)28;1-2-3-4-5-8(14)13-12-6-9(15)11-7-10(16)17/h3-8,10-13,15-18,24,27-28H,9,14,19,26H2,1-2H3;12H,2-7H2,1H3,(H,11,15)(H,13,14)(H,16,17).

What are the key properties of amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid?

amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid has a molecular weight of 699.79 g/mol, XLogP of 3.91, 21 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid is sourced from PubChem (CID 175072276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).