N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide

C18H29FN2O2 — CID 111462190

IUPACN-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(=O)NC(C)(C)C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C18H29FN2O2/c1-13(2)10-21(12-17(23)20-18(3,4)5)11-16(22)14-6-8-15(19)9-7-14/h6-9,13,16,22H,10-12H2,1-5H3,(H,20,23)
InChIKeyKIAQYQRRTKTHDJ-UHFFFAOYSA-N
MW324.44 g/mol
LogP2.73
Rot. Bonds7

About N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide

N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide (PubChem CID 111462190) has the molecular formula C18H29FN2O2 and a molecular weight of 324.44 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide
PubChem CID111462190
Molecular FormulaC18H29FN2O2
Molecular Weight324.44 g/mol
Exact Mass324.22
IUPAC NameN-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(=O)NC(C)(C)C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C18H29FN2O2/c1-13(2)10-21(12-17(23)20-18(3,4)5)11-16(22)14-6-8-15(19)9-7-14/h6-9,13,16,22H,10-12H2,1-5H3,(H,20,23)
InChIKeyKIAQYQRRTKTHDJ-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide
CID 111462207
N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 51271531
N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide
CID 110901959
N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 111564900
N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide
CID 54940342
N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
CID 110882203
N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111490028
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8794225
methyl 2-[cyanomethyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]acetate
CID 111757432
1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol
CID 111462210
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-2,4-dimethylpentanamide
CID 111448324

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide (CID 111462190) is N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(=O)NC(C)(C)C)CC(O)c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide?
The InChIKey is KIAQYQRRTKTHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O2/c1-13(2)10-21(12-17(23)20-18(3,4)5)11-16(22)14-6-8-15(19)9-7-14/h6-9,13,16,22H,10-12H2,1-5H3,(H,20,23).
What are the key properties of N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide?
N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide has a molecular weight of 324.44 g/mol, XLogP of 2.73, 7 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-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 111462190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).