2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C18H25FN6O2 — CID 25446130

IUPAC2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H]1CN(Cc2nnnn2CC(=O)NCCc2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C18H25FN6O2/c1-13-9-24(10-14(2)27-13)11-17-21-22-23-25(17)12-18(26)20-8-7-15-3-5-16(19)6-4-15/h3-6,13-14H,7-12H2,1-2H3,(H,20,26)/t13-,14+
InChIKeyHROMEEGOZTVGGO-OKILXGFUSA-N
MW376.44 g/mol
LogP0.78
Rot. Bonds7

About 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 25446130) has the molecular formula C18H25FN6O2 and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID25446130
Molecular FormulaC18H25FN6O2
Molecular Weight376.44 g/mol
Exact Mass376.20
IUPAC Name2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H]1CN(Cc2nnnn2CC(=O)NCCc2ccc(F)cc2)C[C@H](C)O1
InChIInChI=1S/C18H25FN6O2/c1-13-9-24(10-14(2)27-13)11-17-21-22-23-25(17)12-18(26)20-8-7-15-3-5-16(19)6-4-15/h3-6,13-14H,7-12H2,1-2H3,(H,20,26)/t13-,14+
InChIKeyHROMEEGOZTVGGO-OKILXGFUSA-N
XLogP0.78
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide with MolForge

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Related Compounds

2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-{2-[3-(trifluoromethyl)phenyl]ethyl}acetamide
CID 23723578
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CID 24819272
4-[(1-{4-[3-(2-fluorophenyl)-1-pyrrolidinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24790697
1-[3-(2-Fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
CID 24794257
4-[(1-{2-[2-(4-fluorophenyl)-1-pyrrolidinyl]-2-oxoethyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 45198900
2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(2-phenylethyl)acetamide
CID 72122697
N-[2-(4-fluorophenyl)ethyl]-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]acetamide
CID 72122742
N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
CID 45169028
N-(1-benzyl-4-piperidinyl)-2-(5-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-1H-tetrazol-1-yl)acetamide
CID 26314961
N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]acetamide
CID 1445113
1-[(2-Fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209380
N-(3,4-difluorobenzyl)-4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanamide
CID 28356556

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 25446130) is 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is C[C@@H]1CN(Cc2nnnn2CC(=O)NCCc2ccc(F)cc2)C[C@H](C)O1.
What is the InChIKey of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is HROMEEGOZTVGGO-OKILXGFUSA-N. The full InChI is InChI=1S/C18H25FN6O2/c1-13-9-24(10-14(2)27-13)11-17-21-22-23-25(17)12-18(26)20-8-7-15-3-5-16(19)6-4-15/h3-6,13-14H,7-12H2,1-2H3,(H,20,26)/t13-,14+.
What are the key properties of 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 376.44 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 25446130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).