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

C18H37FN2O3 — CID 138728411

IUPACN-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide
SMILESCC(C)NCCCOCCCOC(C)(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C18H37FN2O3/c1-14(2)17(22)21-13-16(19)18(5,6)24-12-8-11-23-10-7-9-20-15(3)4/h14-16,20H,7-13H2,1-6H3,(H,21,22)
InChIKeyBHSDBARPBMRIIQ-UHFFFAOYSA-N
MW348.50 g/mol
LogP2.69
Rot. Bonds14

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

N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide (PubChem CID 138728411) has the molecular formula C18H37FN2O3 and a molecular weight of 348.50 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide
PubChem CID138728411
Molecular FormulaC18H37FN2O3
Molecular Weight348.50 g/mol
Exact Mass348.28
IUPAC NameN-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide
SMILESCC(C)NCCCOCCCOC(C)(C)C(F)CNC(=O)C(C)C
InChIInChI=1S/C18H37FN2O3/c1-14(2)17(22)21-13-16(19)18(5,6)24-12-8-11-23-10-7-9-20-15(3)4/h14-16,20H,7-13H2,1-6H3,(H,21,22)
InChIKeyBHSDBARPBMRIIQ-UHFFFAOYSA-N
XLogP2.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]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-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide (CID 138728411) is N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide is CC(C)NCCCOCCCOC(C)(C)C(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide?
The InChIKey is BHSDBARPBMRIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37FN2O3/c1-14(2)17(22)21-13-16(19)18(5,6)24-12-8-11-23-10-7-9-20-15(3)4/h14-16,20H,7-13H2,1-6H3,(H,21,22).
What are the key properties of N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide?
N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide has a molecular weight of 348.50 g/mol, XLogP of 2.69, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-3-[3-[3-(propan-2-ylamino)propoxy]propoxy]butyl]-2-methylpropanamide is sourced from PubChem (CID 138728411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).