2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide

C17H26FN3O3 — CID 70876654

IUPAC2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide
SMILESCOCc1cc(N(CF)C(=O)CN(C)C)ccc1N1CCOCC1
InChIInChI=1S/C17H26FN3O3/c1-19(2)11-17(22)21(13-18)15-4-5-16(14(10-15)12-23-3)20-6-8-24-9-7-20/h4-5,10H,6-9,11-13H2,1-3H3
InChIKeyAYIKBKPUBFCAFK-UHFFFAOYSA-N
MW339.41 g/mol
LogP1.49
Rot. Bonds7

About 2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide

2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide (PubChem CID 70876654) has the molecular formula C17H26FN3O3 and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide
PubChem CID70876654
Molecular FormulaC17H26FN3O3
Molecular Weight339.41 g/mol
Exact Mass339.20
IUPAC Name2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide
SMILESCOCc1cc(N(CF)C(=O)CN(C)C)ccc1N1CCOCC1
InChIInChI=1S/C17H26FN3O3/c1-19(2)11-17(22)21(13-18)15-4-5-16(14(10-15)12-23-3)20-6-8-24-9-7-20/h4-5,10H,6-9,11-13H2,1-3H3
InChIKeyAYIKBKPUBFCAFK-UHFFFAOYSA-N
XLogP1.49
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide (CID 70876654) is 2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide is COCc1cc(N(CF)C(=O)CN(C)C)ccc1N1CCOCC1.
What is the InChIKey of 2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide?
The InChIKey is AYIKBKPUBFCAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3/c1-19(2)11-17(22)21(13-18)15-4-5-16(14(10-15)12-23-3)20-6-8-24-9-7-20/h4-5,10H,6-9,11-13H2,1-3H3.
What are the key properties of 2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide?
2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide has a molecular weight of 339.41 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(fluoromethyl)-N-[3-(methoxymethyl)-4-morpholin-4-ylphenyl]acetamide is sourced from PubChem (CID 70876654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).