N-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide

C12H24FN3O3 — CID 170584509

IUPACN-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(CCOCCNCF)CCO1
InChIInChI=1S/C12H24FN3O3/c1-11(17)15-8-12-9-16(4-7-19-12)3-6-18-5-2-14-10-13/h12,14H,2-10H2,1H3,(H,15,17)
InChIKeyGYSFUFQZTNLAIV-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.64
Rot. Bonds9

About N-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide

N-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide (PubChem CID 170584509) has the molecular formula C12H24FN3O3 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide
PubChem CID170584509
Molecular FormulaC12H24FN3O3
Molecular Weight277.34 g/mol
Exact Mass277.18
IUPAC NameN-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(CCOCCNCF)CCO1
InChIInChI=1S/C12H24FN3O3/c1-11(17)15-8-12-9-16(4-7-19-12)3-6-18-5-2-14-10-13/h12,14H,2-10H2,1H3,(H,15,17)
InChIKeyGYSFUFQZTNLAIV-UHFFFAOYSA-N
XLogP-0.64
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide?
The IUPAC name of N-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide (CID 170584509) is N-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide is CC(=O)NCC1CN(CCOCCNCF)CCO1.
What is the InChIKey of N-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide?
The InChIKey is GYSFUFQZTNLAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN3O3/c1-11(17)15-8-12-9-16(4-7-19-12)3-6-18-5-2-14-10-13/h12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide?
N-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide has a molecular weight of 277.34 g/mol, XLogP of -0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[2-(fluoromethylamino)ethoxy]ethyl]morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 170584509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).