2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

C17H25FN2O2 — CID 111858821

IUPAC2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN(C)CC(O)C1CC1
InChIInChI=1S/C17H25FN2O2/c1-12(13-6-8-15(18)9-7-13)20(3)17(22)11-19(2)10-16(21)14-4-5-14/h6-9,12,14,16,21H,4-5,10-11H2,1-3H3
InChIKeyXCHWRECXEHJBHX-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.05
Rot. Bonds7

About 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 111858821) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID111858821
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN(C)CC(O)C1CC1
InChIInChI=1S/C17H25FN2O2/c1-12(13-6-8-15(18)9-7-13)20(3)17(22)11-19(2)10-16(21)14-4-5-14/h6-9,12,14,16,21H,4-5,10-11H2,1-3H3
InChIKeyXCHWRECXEHJBHX-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 56815151
N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86913404
1-cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol
CID 111858759
3-[cyclopropyl-(4-fluorophenyl)methyl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 75379181
2-(1-aminocyclobutyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 79854166
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63877072
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 134041772
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 111334205
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198
1-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903870
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
1-cyclohexyl-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 104752723

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (CID 111858821) is 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is CC(c1ccc(F)cc1)N(C)C(=O)CN(C)CC(O)C1CC1.
What is the InChIKey of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is XCHWRECXEHJBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12(13-6-8-15(18)9-7-13)20(3)17(22)11-19(2)10-16(21)14-4-5-14/h6-9,12,14,16,21H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 308.40 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 111858821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).