2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C18H26FN3O3 — CID 136526531

IUPAC2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CN1CCOc2cc(F)ccc21)N1CCOCC1
InChIInChI=1S/C18H26FN3O3/c1-18(2,22-6-8-24-9-7-22)13-20-17(23)12-21-5-10-25-16-11-14(19)3-4-15(16)21/h3-4,11H,5-10,12-13H2,1-2H3,(H,20,23)
InChIKeyUCBXYZIUQYRPOG-UHFFFAOYSA-N
MW351.42 g/mol
LogP1.25
Rot. Bonds5

About 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 136526531) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID136526531
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CN1CCOc2cc(F)ccc21)N1CCOCC1
InChIInChI=1S/C18H26FN3O3/c1-18(2,22-6-8-24-9-7-22)13-20-17(23)12-21-5-10-25-16-11-14(19)3-4-15(16)21/h3-4,11H,5-10,12-13H2,1-2H3,(H,20,23)
InChIKeyUCBXYZIUQYRPOG-UHFFFAOYSA-N
XLogP1.25
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide with MolForge

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Related Compounds

2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-phenylpropyl)acetamide
CID 86972389
2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide
CID 51192724
5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
CID 46555928
14-(2-methoxy-2-oxoethyl)-2,5,8,11-tetraoxa-14-azabicyclo[13.4.0]nonadeca-1(15),16,18-triene-18-carboxylic acid
CID 171441561
1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51296603
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46491153
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51078866
N-(2-methyl-2-morpholin-4-ylpropyl)-2-piperazin-1-ylacetamide
CID 61250159
3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 46470982
4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide
CID 51163396

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 136526531) is 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CC(C)(CNC(=O)CN1CCOc2cc(F)ccc21)N1CCOCC1.
What is the InChIKey of 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is UCBXYZIUQYRPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-18(2,22-6-8-24-9-7-22)13-20-17(23)12-21-5-10-25-16-11-14(19)3-4-15(16)21/h3-4,11H,5-10,12-13H2,1-2H3,(H,20,23).
What are the key properties of 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 351.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 136526531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).