N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide

About N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide

N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide (PubChem CID 155439428) has the molecular formula C26H53FN4O6 and a molecular weight of 536.73 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound Name	N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide
PubChem CID	155439428
Molecular Formula	C26H53FN4O6
Molecular Weight	536.73 g/mol
Exact Mass	536.39
IUPAC Name	N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide
SMILES	CC(C)NCCOCCOCCOCCOCCN1CCN(CCOCC(F)CNC(=O)C(C)C)CC1
InChI	InChI=1S/C26H53FN4O6/c1-23(2)26(32)29-21-25(27)22-37-14-11-31-8-6-30(7-9-31)10-13-34-16-18-36-20-19-35-17-15-33-12-5-28-24(3)4/h23-25,28H,5-22H2,1-4H3,(H,29,32)
InChIKey	RTMBJZFOMYYMMF-UHFFFAOYSA-N
XLogP	0.80
TPSA	93.76 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	24
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.73
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide?

The IUPAC name of N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide (CID 155439428) is N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide.

What is the SMILES notation for N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide?

The canonical SMILES for N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide is CC(C)NCCOCCOCCOCCOCCN1CCN(CCOCC(F)CNC(=O)C(C)C)CC1.

What is the InChIKey of N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide?

The InChIKey is RTMBJZFOMYYMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53FN4O6/c1-23(2)26(32)29-21-25(27)22-37-14-11-31-8-6-30(7-9-31)10-13-34-16-18-36-20-19-35-17-15-33-12-5-28-24(3)4/h23-25,28H,5-22H2,1-4H3,(H,29,32).

What are the key properties of N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide?

N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 536.73 g/mol, XLogP of 0.80, 24 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 155439428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).