N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide

C28H58N3O4P — CID 135293023

IUPACN-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide
SMILESCOP(OC(CNC(=O)C(C)(C)CC(C)(C)C)CNC(=O)C(C)(C)CC(C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C28H58N3O4P/c1-20(2)31(21(3)4)36(34-15)35-22(16-29-23(32)27(11,12)18-25(5,6)7)17-30-24(33)28(13,14)19-26(8,9)10/h20-22H,16-19H2,1-15H3,(H,29,32)(H,30,33)
InChIKeyIZAQLBRYNUWPGP-UHFFFAOYSA-N
MW531.76 g/mol
LogP6.52
Rot. Bonds14

About N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide

N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide (PubChem CID 135293023) has the molecular formula C28H58N3O4P and a molecular weight of 531.76 g/mol. Its IUPAC name is N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide.

Molecular Properties

Compound NameN-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide
PubChem CID135293023
Molecular FormulaC28H58N3O4P
Molecular Weight531.76 g/mol
Exact Mass531.42
IUPAC NameN-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide
SMILESCOP(OC(CNC(=O)C(C)(C)CC(C)(C)C)CNC(=O)C(C)(C)CC(C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C28H58N3O4P/c1-20(2)31(21(3)4)36(34-15)35-22(16-29-23(32)27(11,12)18-25(5,6)7)17-30-24(33)28(13,14)19-26(8,9)10/h20-22H,16-19H2,1-15H3,(H,29,32)(H,30,33)
InChIKeyIZAQLBRYNUWPGP-UHFFFAOYSA-N
XLogP6.52
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.76
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide?
The IUPAC name of N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide (CID 135293023) is N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide.
What is the SMILES notation for N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide?
The canonical SMILES for N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide is COP(OC(CNC(=O)C(C)(C)CC(C)(C)C)CNC(=O)C(C)(C)CC(C)(C)C)N(C(C)C)C(C)C.
What is the InChIKey of N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide?
The InChIKey is IZAQLBRYNUWPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58N3O4P/c1-20(2)31(21(3)4)36(34-15)35-22(16-29-23(32)27(11,12)18-25(5,6)7)17-30-24(33)28(13,14)19-26(8,9)10/h20-22H,16-19H2,1-15H3,(H,29,32)(H,30,33).
What are the key properties of N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide?
N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide has a molecular weight of 531.76 g/mol, XLogP of 6.52, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxy-3-(2,2,4,4-tetramethylpentanoylamino)propyl]-2,2,4,4-tetramethylpentanamide is sourced from PubChem (CID 135293023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).