2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide

C20H29FN2O3 — CID 91779980

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide
SMILESCN(CC(=O)N[C@H]1CCOC[C@H]1C1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C20H29FN2O3/c1-23(12-16-4-2-3-5-18(16)21)13-20(24)22-19-8-11-26-14-17(19)15-6-9-25-10-7-15/h2-5,15,17,19H,6-14H2,1H3,(H,22,24)/t17-,19-/m0/s1
InChIKeyFSGMMGNJGPRAEL-HKUYNNGSSA-N
MW364.46 g/mol
LogP2.21
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide

2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide (PubChem CID 91779980) has the molecular formula C20H29FN2O3 and a molecular weight of 364.46 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide
PubChem CID91779980
Molecular FormulaC20H29FN2O3
Molecular Weight364.46 g/mol
Exact Mass364.22
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide
SMILESCN(CC(=O)N[C@H]1CCOC[C@H]1C1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C20H29FN2O3/c1-23(12-16-4-2-3-5-18(16)21)13-20(24)22-19-8-11-26-14-17(19)15-6-9-25-10-7-15/h2-5,15,17,19H,6-14H2,1H3,(H,22,24)/t17-,19-/m0/s1
InChIKeyFSGMMGNJGPRAEL-HKUYNNGSSA-N
XLogP2.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorobenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190619
2-[1-(3-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 24794208
2-[1-(3,4-difluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16189058
2-[1-(2-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]acetamide
CID 24817386
2-[1-(2,3-difluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 24817546
2-[1-(2-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 24791136
2-[1-(3,4-difluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 24791598
2-[1-(3-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]acetamide
CID 24792040
2-[1-(2-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 24793185
N-[(4-fluorophenyl)methyl]-2-[3-(methoxymethyl)piperidin-1-yl]acetamide
CID 52992926
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(4-methylcyclohexyl)acetamide
CID 75462681
N-({1-[(2-Fluorophenyl)methyl]piperidin-4-YL}methyl)-2-(oxan-4-YL)propanamide
CID 91907766

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide (CID 91779980) is 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide is CN(CC(=O)N[C@H]1CCOC[C@H]1C1CCOCC1)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The InChIKey is FSGMMGNJGPRAEL-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H29FN2O3/c1-23(12-16-4-2-3-5-18(16)21)13-20(24)22-19-8-11-26-14-17(19)15-6-9-25-10-7-15/h2-5,15,17,19H,6-14H2,1H3,(H,22,24)/t17-,19-/m0/s1.
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide has a molecular weight of 364.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 91779980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).