N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide

C17H27FN2O2 — CID 110899211

IUPACN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCN(CCO)CC(=O)NC(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O2/c1-17(2,3)11-15(13-5-7-14(18)8-6-13)19-16(22)12-20(4)9-10-21/h5-8,15,21H,9-12H2,1-4H3,(H,19,22)
InChIKeyHSTMOPBBTLCQIK-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.34
Rot. Bonds7

About N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide

N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide (PubChem CID 110899211) has the molecular formula C17H27FN2O2 and a molecular weight of 310.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
PubChem CID110899211
Molecular FormulaC17H27FN2O2
Molecular Weight310.41 g/mol
Exact Mass310.21
IUPAC NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCN(CCO)CC(=O)NC(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O2/c1-17(2,3)11-15(13-5-7-14(18)8-6-13)19-16(22)12-20(4)9-10-21/h5-8,15,21H,9-12H2,1-4H3,(H,19,22)
InChIKeyHSTMOPBBTLCQIK-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea
CID 110896367
2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
CID 119724723
N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide
CID 56521765
N-(1,2-diphenylethyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110880802
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide
CID 110281888
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
CID 119724732
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 62687201
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-thiomorpholin-4-ylacetamide
CID 86889513
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724736
N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide
CID 51954474
N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683956

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide (CID 110899211) is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide is CN(CCO)CC(=O)NC(CC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The InChIKey is HSTMOPBBTLCQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O2/c1-17(2,3)11-15(13-5-7-14(18)8-6-13)19-16(22)12-20(4)9-10-21/h5-8,15,21H,9-12H2,1-4H3,(H,19,22).
What are the key properties of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide has a molecular weight of 310.41 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide is sourced from PubChem (CID 110899211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).