N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide

C12H26FN3O3 — CID 142616700

IUPACN-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
SMILESCNCCOCCNCCOCC(F)CNC(C)=O
InChIInChI=1S/C12H26FN3O3/c1-11(17)16-9-12(13)10-19-8-5-15-4-7-18-6-3-14-2/h12,14-15H,3-10H2,1-2H3,(H,16,17)
InChIKeyREMYFJWNQFVPRL-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.70
Rot. Bonds13

About N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide

N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide (PubChem CID 142616700) has the molecular formula C12H26FN3O3 and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
PubChem CID142616700
Molecular FormulaC12H26FN3O3
Molecular Weight279.36 g/mol
Exact Mass279.20
IUPAC NameN-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
SMILESCNCCOCCNCCOCC(F)CNC(C)=O
InChIInChI=1S/C12H26FN3O3/c1-11(17)16-9-12(13)10-19-8-5-15-4-7-18-6-3-14-2/h12,14-15H,3-10H2,1-2H3,(H,16,17)
InChIKeyREMYFJWNQFVPRL-UHFFFAOYSA-N
XLogP-0.70
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide 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-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide
CID 153390576
ethane;N-[3-[2-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide;molecular hydrogen
CID 164556898
ethane;N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 153390518
ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide
CID 155739614
N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide
CID 170218773
N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 147243604
ethane;N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]acetamide
CID 142623147
2-butyl-N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]heptanamide
CID 166678789
N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
CID 170442191
ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide
CID 142616304
N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide
CID 167191221
N-[2-fluoro-3-methyl-3-[2-(methylamino)ethoxy]butyl]acetamide
CID 155402014

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide (CID 142616700) is N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide is CNCCOCCNCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide?
The InChIKey is REMYFJWNQFVPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FN3O3/c1-11(17)16-9-12(13)10-19-8-5-15-4-7-18-6-3-14-2/h12,14-15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide?
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide has a molecular weight of 279.36 g/mol, XLogP of -0.70, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide is sourced from PubChem (CID 142616700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).