methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate

C24H42N2O7P2 — CID 22095021

About methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate

methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate (PubChem CID 22095021) has the molecular formula C24H42N2O7P2 and a molecular weight of 532.56 g/mol. Its IUPAC name is methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate.

Molecular Properties

• Compound Name: methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate
• PubChem CID: 22095021
• Molecular Formula: C24H42N2O7P2
• Molecular Weight: 532.56 g/mol
• Exact Mass: 532.25
• IUPAC Name: methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate
• SMILES: C=CCN(C(CC(C)C)C(=O)OC)P(=O)(C=C)OP(=O)(C=C)N(CC=C)C(CC(C)C)C(=O)OC
• InChI: InChI=1S/C24H42N2O7P2/c1-11-15-25(21(17-19(5)6)23(27)31-9)34(29,13-3)33-35(30,14-4)26(16-12-2)22(18-20(7)8)24(28)32-10/h11-14,19-22H,1-4,15-18H2,5-10H3
• InChIKey: MACUASCIOCXFKX-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 102.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.56
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate?

The IUPAC name of methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate (CID 22095021) is methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate.

What is the SMILES notation for methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate?

The canonical SMILES for methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate is C=CCN(C(CC(C)C)C(=O)OC)P(=O)(C=C)OP(=O)(C=C)N(CC=C)C(CC(C)C)C(=O)OC.

What is the InChIKey of methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate?

The InChIKey is MACUASCIOCXFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O7P2/c1-11-15-25(21(17-19(5)6)23(27)31-9)34(29,13-3)33-35(30,14-4)26(16-12-2)22(18-20(7)8)24(28)32-10/h11-14,19-22H,1-4,15-18H2,5-10H3.

What are the key properties of methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate?

methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate has a molecular weight of 532.56 g/mol, XLogP of 5.83, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[ethenyl-[ethenyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-4-methylpentanoate is sourced from PubChem (CID 22095021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).