2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene)

C73H103N2O16P — CID 87415692

About 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene)

2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene) (PubChem CID 87415692) has the molecular formula C73H103N2O16P and a molecular weight of 1295.60 g/mol. Its IUPAC name is 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene).

Molecular Properties

• Compound Name: 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene)
• PubChem CID: 87415692
• Molecular Formula: C73H103N2O16P
• Molecular Weight: 1295.60 g/mol
• Exact Mass: 1294.70
• IUPAC Name: 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene)
• SMILES: CC(C)N(C(C)C)P(O)OCCC#N.COCCOCCOCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.COCCOCCOCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/2C32H42O7.C9H19N2O2P/c2*1-33-17-18-34-19-20-35-21-22-36-23-24-37-25-26-38-27-28-39-32(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31;1-8(2)11(9(3)4)14(12)13-7-5-6-10/h2*2-16H,17-28H2,1H3;8-9,12H,5,7H2,1-4H3
• InChIKey: QQCSAEJBVGZGKH-UHFFFAOYSA-N
• XLogP: 11.70
• TPSA: 185.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 50
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1295.60
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene)?

The IUPAC name of 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene) (CID 87415692) is 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene).

What is the SMILES notation for 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene)?

The canonical SMILES for 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene) is CC(C)N(C(C)C)P(O)OCCC#N.COCCOCCOCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.COCCOCCOCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene)?

The InChIKey is QQCSAEJBVGZGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H42O7.C9H19N2O2P/c2*1-33-17-18-34-19-20-35-21-22-36-23-24-37-25-26-38-27-28-39-32(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31;1-8(2)11(9(3)4)14(12)13-7-5-6-10/h2*2-16H,17-28H2,1H3;8-9,12H,5,7H2,1-4H3.

What are the key properties of 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene)?

2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene) has a molecular weight of 1295.60 g/mol, XLogP of 11.70, 50 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene) is sourced from PubChem (CID 87415692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).