N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide

C16H25FN2O2 — CID 111564900

IUPACN-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
SMILESCc1cc(F)ccc1C(O)CN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H25FN2O2/c1-11-8-12(17)6-7-13(11)14(20)9-19(5)10-15(21)18-16(2,3)4/h6-8,14,20H,9-10H2,1-5H3,(H,18,21)
InChIKeyYJAAMIAHHKVSMO-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.01
Rot. Bonds5

About N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide

N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide (PubChem CID 111564900) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
PubChem CID111564900
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
SMILESCc1cc(F)ccc1C(O)CN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H25FN2O2/c1-11-8-12(17)6-7-13(11)14(20)9-19(5)10-15(21)18-16(2,3)4/h6-8,14,20H,9-10H2,1-5H3,(H,18,21)
InChIKeyYJAAMIAHHKVSMO-UHFFFAOYSA-N
XLogP2.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111565148
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-propan-2-ylacetamide
CID 110897731
N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
CID 110882203
2-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 110898244
1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 111564990
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide
CID 111564982
N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide
CID 110901959
N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide
CID 111462190
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide
CID 109411515
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide (CID 111564900) is N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide is Cc1cc(F)ccc1C(O)CN(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide?
The InChIKey is YJAAMIAHHKVSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-11-8-12(17)6-7-13(11)14(20)9-19(5)10-15(21)18-16(2,3)4/h6-8,14,20H,9-10H2,1-5H3,(H,18,21).
What are the key properties of N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide has a molecular weight of 296.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide is sourced from PubChem (CID 111564900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).