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

C12H25FN2O3 — CID 153390576

IUPACN-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide
SMILESCNCCCOCCCOCC(F)CNC(C)=O
InChIInChI=1S/C12H25FN2O3/c1-11(16)15-9-12(13)10-18-8-4-7-17-6-3-5-14-2/h12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyVVMKSVPIODALSS-UHFFFAOYSA-N
MW264.34 g/mol
LogP0.49
Rot. Bonds12

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

N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide (PubChem CID 153390576) has the molecular formula C12H25FN2O3 and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide
PubChem CID153390576
Molecular FormulaC12H25FN2O3
Molecular Weight264.34 g/mol
Exact Mass264.18
IUPAC NameN-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide
SMILESCNCCCOCCCOCC(F)CNC(C)=O
InChIInChI=1S/C12H25FN2O3/c1-11(16)15-9-12(13)10-18-8-4-7-17-6-3-5-14-2/h12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyVVMKSVPIODALSS-UHFFFAOYSA-N
XLogP0.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
CID 142616700
N-[5-[2-[5-(3-acetamido-2-fluoropropoxy)pentoxy]ethoxy]pentyl]-2-ethoxyacetamide
CID 167191221
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
N-[2-methyl-5-(methylamino)pentyl]acetamide
CID 162925431
N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide
CID 155459731
2-butyl-N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]heptanamide
CID 166678789
N-methyl-3-[3-(2-methylpropoxy)propoxy]propan-1-amine
CID 156523770
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-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319
N-(3-butoxy-2-methylpropyl)acetamide
CID 134356705

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide?
The IUPAC name of N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide (CID 153390576) is N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide is CNCCCOCCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide?
The InChIKey is VVMKSVPIODALSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O3/c1-11(16)15-9-12(13)10-18-8-4-7-17-6-3-5-14-2/h12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide?
N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide has a molecular weight of 264.34 g/mol, XLogP of 0.49, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[3-[3-(methylamino)propoxy]propoxy]propyl]acetamide is sourced from PubChem (CID 153390576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).