N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine

C46H61N6O10P — CID 143535446

About N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine

N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine (PubChem CID 143535446) has the molecular formula C46H61N6O10P and a molecular weight of 889.00 g/mol. Its IUPAC name is N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine.

Molecular Properties

• Compound Name: N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine
• PubChem CID: 143535446
• Molecular Formula: C46H61N6O10P
• Molecular Weight: 889.00 g/mol
• Exact Mass: 888.42
• IUPAC Name: N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine
• SMILES: CNC.COc1ccc(C(OCC2OC(n3ccc(NC(C)=O)nc3=O)C(OCCC=O)C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C44H54N5O10P.C2H7N/c1-30(2)49(31(3)4)60(57-28-11-24-45)59-40-38(58-42(41(40)55-27-12-26-50)48-25-23-39(46-32(5)51)47-43(48)52)29-56-44(33-13-9-8-10-14-33,34-15-19-36(53-6)20-16-34)35-17-21-37(54-7)22-18-35;1-3-2/h8-10,13-23,25-26,30-31,38,40-42H,11-12,27-29H2,1-7H3,(H,46,47,51,52);3H,1-2H3
• InChIKey: AACUPYWXPFZVCS-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 184.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.00
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine?

The IUPAC name of N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine (CID 143535446) is N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine.

What is the SMILES notation for N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine?

The canonical SMILES for N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine is CNC.COc1ccc(C(OCC2OC(n3ccc(NC(C)=O)nc3=O)C(OCCC=O)C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine?

The InChIKey is AACUPYWXPFZVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54N5O10P.C2H7N/c1-30(2)49(31(3)4)60(57-28-11-24-45)59-40-38(58-42(41(40)55-27-12-26-50)48-25-23-39(46-32(5)51)47-43(48)52)29-56-44(33-13-9-8-10-14-33,34-15-19-36(53-6)20-16-34)35-17-21-37(54-7)22-18-35;1-3-2/h8-10,13-23,25-26,30-31,38,40-42H,11-12,27-29H2,1-7H3,(H,46,47,51,52);3H,1-2H3.

What are the key properties of N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine?

N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine has a molecular weight of 889.00 g/mol, XLogP of 6.60, 22 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(3-oxopropoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide;N-methylmethanamine is sourced from PubChem (CID 143535446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).