2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C23H27FN2O2 — CID 36738179

IUPAC2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H27FN2O2/c1-25(21-8-4-6-17-5-2-3-7-20(17)21)23(27)16-26-13-14-28-22(15-26)18-9-11-19(24)12-10-18/h2-3,5,7,9-12,21-22H,4,6,8,13-16H2,1H3/t21-,22-/m1/s1
InChIKeyRCIWSKURDWTLDH-FGZHOGPDSA-N
MW382.48 g/mol
LogP3.73
Rot. Bonds4

About 2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 36738179) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID36738179
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H27FN2O2/c1-25(21-8-4-6-17-5-2-3-7-20(17)21)23(27)16-26-13-14-28-22(15-26)18-9-11-19(24)12-10-18/h2-3,5,7,9-12,21-22H,4,6,8,13-16H2,1H3/t21-,22-/m1/s1
InChIKeyRCIWSKURDWTLDH-FGZHOGPDSA-N
XLogP3.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9346528
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111113798
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 60511940
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 119041161
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46527824
2-(2,5-dimethylmorpholin-4-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75808665
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 120775346
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9348216
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9348212
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9347111
N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 124507515
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39976733

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 36738179) is 2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CN(C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is RCIWSKURDWTLDH-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-25(21-8-4-6-17-5-2-3-7-20(17)21)23(27)16-26-13-14-28-22(15-26)18-9-11-19(24)12-10-18/h2-3,5,7,9-12,21-22H,4,6,8,13-16H2,1H3/t21-,22-/m1/s1.
What are the key properties of 2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 382.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 36738179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).