N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide

C26H39N2O6P — CID 89021599

About N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide

N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide (PubChem CID 89021599) has the molecular formula C26H39N2O6P and a molecular weight of 506.58 g/mol. Its IUPAC name is N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide
• PubChem CID: 89021599
• Molecular Formula: C26H39N2O6P
• Molecular Weight: 506.58 g/mol
• Exact Mass: 506.25
• IUPAC Name: N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide
• SMILES: CCOP(=O)(OCC)C(C)C[C@@H](Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1)NC(C)=O
• InChI: InChI=1S/C26H39N2O6P/c1-8-33-35(30,34-9-2)19(4)14-23(28-21(6)29)15-22-10-12-24(13-11-22)32-17-25-20(5)26(31-7)18(3)16-27-25/h10-13,16,19,23H,8-9,14-15,17H2,1-7H3,(H,28,29)/t19?,23-/m0/s1
• InChIKey: SDMOMLKUMNRKBG-BVHINDKJSA-N
• XLogP: 5.38
• TPSA: 95.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.58
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide?

The IUPAC name of N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide (CID 89021599) is N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide.

What is the SMILES notation for N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide?

The canonical SMILES for N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide is CCOP(=O)(OCC)C(C)C[C@@H](Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1)NC(C)=O.

What is the InChIKey of N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide?

The InChIKey is SDMOMLKUMNRKBG-BVHINDKJSA-N. The full InChI is InChI=1S/C26H39N2O6P/c1-8-33-35(30,34-9-2)19(4)14-23(28-21(6)29)15-22-10-12-24(13-11-22)32-17-25-20(5)26(31-7)18(3)16-27-25/h10-13,16,19,23H,8-9,14-15,17H2,1-7H3,(H,28,29)/t19?,23-/m0/s1.

What are the key properties of N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide?

N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide has a molecular weight of 506.58 g/mol, XLogP of 5.38, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-4-diethoxyphosphoryl-1-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]pentan-2-yl]acetamide is sourced from PubChem (CID 89021599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).