N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide

C17H33IN2O5 — CID 170007577

IUPACN-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide
SMILESCC(I)OCC(=O)NCCCOCCCOCCCNC(=O)C(C)C
InChIInChI=1S/C17H33IN2O5/c1-14(2)17(22)20-8-5-10-24-12-6-11-23-9-4-7-19-16(21)13-25-15(3)18/h14-15H,4-13H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyYYDOYFZHBTYMEF-UHFFFAOYSA-N
MW472.36 g/mol
LogP1.88
Rot. Bonds16

About N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide

N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide (PubChem CID 170007577) has the molecular formula C17H33IN2O5 and a molecular weight of 472.36 g/mol. Its IUPAC name is N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide
PubChem CID170007577
Molecular FormulaC17H33IN2O5
Molecular Weight472.36 g/mol
Exact Mass472.14
IUPAC NameN-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide
SMILESCC(I)OCC(=O)NCCCOCCCOCCCNC(=O)C(C)C
InChIInChI=1S/C17H33IN2O5/c1-14(2)17(22)20-8-5-10-24-12-6-11-23-9-4-7-19-16(21)13-25-15(3)18/h14-15H,4-13H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyYYDOYFZHBTYMEF-UHFFFAOYSA-N
XLogP1.88
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide
CID 170007814
N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide
CID 155459731
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide
CID 156795155
N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide
CID 167107449
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 155402187
N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide
CID 165106125
2-methyl-N-[5-[5-(methylamino)pentoxy]pentyl]propanamide
CID 156794993
N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide
CID 166733071
N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 138727601

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide (CID 170007577) is N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide is CC(I)OCC(=O)NCCCOCCCOCCCNC(=O)C(C)C.
What is the InChIKey of N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide?
The InChIKey is YYDOYFZHBTYMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33IN2O5/c1-14(2)17(22)20-8-5-10-24-12-6-11-23-9-4-7-19-16(21)13-25-15(3)18/h14-15H,4-13H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide?
N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide has a molecular weight of 472.36 g/mol, XLogP of 1.88, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 170007577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).