N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide

C17H25FN2O2 — CID 99715210

IUPACN-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
SMILESCc1cc([C@H](C)NC(=O)CNC[C@@H]2CCCO2)cc(C)c1F
InChIInChI=1S/C17H25FN2O2/c1-11-7-14(8-12(2)17(11)18)13(3)20-16(21)10-19-9-15-5-4-6-22-15/h7-8,13,15,19H,4-6,9-10H2,1-3H3,(H,20,21)/t13-,15-/m0/s1
InChIKeyLPMGGCSOSGFHJJ-ZFWWWQNUSA-N
MW308.40 g/mol
LogP2.39
Rot. Bonds6

About N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide

N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide (PubChem CID 99715210) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
PubChem CID99715210
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
SMILESCc1cc([C@H](C)NC(=O)CNC[C@@H]2CCCO2)cc(C)c1F
InChIInChI=1S/C17H25FN2O2/c1-11-7-14(8-12(2)17(11)18)13(3)20-16(21)10-19-9-15-5-4-6-22-15/h7-8,13,15,19H,4-6,9-10H2,1-3H3,(H,20,21)/t13-,15-/m0/s1
InChIKeyLPMGGCSOSGFHJJ-ZFWWWQNUSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119683065
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119682971
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119699856
2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119686315
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide
CID 86780191
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-(oxolan-2-yl)propanamide
CID 71856408
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 30405119
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30405125
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
The IUPAC name of N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide (CID 99715210) is N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
The canonical SMILES for N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide is Cc1cc([C@H](C)NC(=O)CNC[C@@H]2CCCO2)cc(C)c1F.
What is the InChIKey of N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
The InChIKey is LPMGGCSOSGFHJJ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-11-7-14(8-12(2)17(11)18)13(3)20-16(21)10-19-9-15-5-4-6-22-15/h7-8,13,15,19H,4-6,9-10H2,1-3H3,(H,20,21)/t13-,15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide?
N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide has a molecular weight of 308.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide is sourced from PubChem (CID 99715210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).