N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide

C19H29FN2O2 — CID 124811458

IUPACN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)CCOc1ccccc1F
InChIInChI=1S/C19H29FN2O2/c1-14-7-6-9-17(15(14)2)21-19(23)13-22(3)11-12-24-18-10-5-4-8-16(18)20/h4-5,8,10,14-15,17H,6-7,9,11-13H2,1-3H3,(H,21,23)/t14-,15+,17-/m1/s1
InChIKeyXSHFDDFXIKLYHM-HLLBOEOZSA-N
MW336.45 g/mol
LogP3.08
Rot. Bonds7

About N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide (PubChem CID 124811458) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
PubChem CID124811458
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)CCOc1ccccc1F
InChIInChI=1S/C19H29FN2O2/c1-14-7-6-9-17(15(14)2)21-19(23)13-22(3)11-12-24-18-10-5-4-8-16(18)20/h4-5,8,10,14-15,17H,6-7,9,11-13H2,1-3H3,(H,21,23)/t14-,15+,17-/m1/s1
InChIKeyXSHFDDFXIKLYHM-HLLBOEOZSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide with MolForge

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124737979
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 98620369
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11929339
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 9222182
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 26386856
N-cyclopropyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 8909311
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9250651
N-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl-methylamino]propanamide
CID 55432130
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11935793
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 11917810
N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 11934719

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide (CID 124811458) is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide.
What is the SMILES notation for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The canonical SMILES for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide is C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)CCOc1ccccc1F.
What is the InChIKey of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The InChIKey is XSHFDDFXIKLYHM-HLLBOEOZSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-14-7-6-9-17(15(14)2)21-19(23)13-22(3)11-12-24-18-10-5-4-8-16(18)20/h4-5,8,10,14-15,17H,6-7,9,11-13H2,1-3H3,(H,21,23)/t14-,15+,17-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide has a molecular weight of 336.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide is sourced from PubChem (CID 124811458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).