2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide

C19H28FN3O2 — CID 118745939

IUPAC2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCOCC2(CCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H28FN3O2/c1-21-18(24)12-23-9-10-25-15-19(14-23)7-2-8-22(13-19)11-16-3-5-17(20)6-4-16/h3-6H,2,7-15H2,1H3,(H,21,24)
InChIKeyTXVICUOIIWFDHU-UHFFFAOYSA-N
MW349.45 g/mol
LogP1.49
Rot. Bonds4

About 2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide

2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide (PubChem CID 118745939) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
PubChem CID118745939
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCOCC2(CCCN(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H28FN3O2/c1-21-18(24)12-23-9-10-25-15-19(14-23)7-2-8-22(13-19)11-16-3-5-17(20)6-4-16/h3-6H,2,7-15H2,1H3,(H,21,24)
InChIKeyTXVICUOIIWFDHU-UHFFFAOYSA-N
XLogP1.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
N1-benzyl-N2-(3-morpholinopropyl)oxalamide
CID 2291099
2-(2,6-dimethylmorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4877762
N-[1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 4884814
N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylacetamide;hydrochloride
CID 16247256
N1-(4-fluorobenzyl)-N2-((1-(2-methoxyethyl)piperidin-4-yl)methyl)oxalamide
CID 16886674
2-acetamido-N-benzyl-3-morpholin-4-ylpropanamide
CID 21634113
4-[(R)-1-(p-fluorophenyl)-2-(N-cyclopentylcarbamoylcarbonylamino)ethyl]morpholine
CID 30835393
2-[benzyl(methyl)amino]-N-(oxan-2-ylmethyl)acetamide
CID 47466742
N-[(4-fluorophenyl)methyl]-2-[3-(methoxymethyl)piperidin-1-yl]acetamide
CID 52992926
N-[(4-fluorophenyl)methyl]-2-[methyl(2-morpholin-4-ylethyl)amino]propanamide
CID 53613825
N-{2-[4-(2-fluorobenzyl)morpholin-2-yl]ethyl}-2,2-dimethylpropanamide
CID 56719606

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
The IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide (CID 118745939) is 2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide is CNC(=O)CN1CCOCC2(CCCN(Cc3ccc(F)cc3)C2)C1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
The InChIKey is TXVICUOIIWFDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-21-18(24)12-23-9-10-25-15-19(14-23)7-2-8-22(13-19)11-16-3-5-17(20)6-4-16/h3-6H,2,7-15H2,1H3,(H,21,24).
What are the key properties of 2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide?
2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide has a molecular weight of 349.45 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide is sourced from PubChem (CID 118745939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).