N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide

C19H39FN2O5 — CID 146925428

IUPACN-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCC(C)NCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C19H39FN2O5/c1-15(2)19(23)22-14-18(20)17(5)27-13-12-26-11-10-25-9-8-24-7-6-21-16(3)4/h15-18,21H,6-14H2,1-5H3,(H,22,23)
InChIKeyADZHEUWWCSPRJU-UHFFFAOYSA-N
MW394.53 g/mol
LogP1.55
Rot. Bonds18

About N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide

N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (PubChem CID 146925428) has the molecular formula C19H39FN2O5 and a molecular weight of 394.53 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
PubChem CID146925428
Molecular FormulaC19H39FN2O5
Molecular Weight394.53 g/mol
Exact Mass394.28
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
SMILESCC(C)NCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C19H39FN2O5/c1-15(2)19(23)22-14-18(20)17(5)27-13-12-26-11-10-25-9-8-24-7-6-21-16(3)4/h15-18,21H,6-14H2,1-5H3,(H,22,23)
InChIKeyADZHEUWWCSPRJU-UHFFFAOYSA-N
XLogP1.55
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide (CID 146925428) is N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is CC(C)NCCOCCOCCOCCOC(C)C(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
The InChIKey is ADZHEUWWCSPRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39FN2O5/c1-15(2)19(23)22-14-18(20)17(5)27-13-12-26-11-10-25-9-8-24-7-6-21-16(3)4/h15-18,21H,6-14H2,1-5H3,(H,22,23).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide has a molecular weight of 394.53 g/mol, XLogP of 1.55, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide is sourced from PubChem (CID 146925428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).