N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide

C15H21F3N2O2 — CID 111109987

IUPACN-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCCc1ccc(NC(=O)CN(CCCO)CC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O2/c1-2-12-4-6-13(7-5-12)19-14(22)10-20(8-3-9-21)11-15(16,17)18/h4-7,21H,2-3,8-11H2,1H3,(H,19,22)
InChIKeyLHHRMNIRPMIUFE-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.43
Rot. Bonds8

About N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide

N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 111109987) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID111109987
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC NameN-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCCc1ccc(NC(=O)CN(CCCO)CC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O2/c1-2-12-4-6-13(7-5-12)19-14(22)10-20(8-3-9-21)11-15(16,17)18/h4-7,21H,2-3,8-11H2,1H3,(H,19,22)
InChIKeyLHHRMNIRPMIUFE-UHFFFAOYSA-N
XLogP2.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111109944
2-[butyl(ethyl)amino]-N-(4-ethylphenyl)acetamide
CID 55437047
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111022260
2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 18870810
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 111022254
N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
CID 82181831
N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide
CID 111496349
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109006608
N-(3-chloro-4-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669605
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide
CID 46614817
2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 111107285

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide (CID 111109987) is N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide is CCc1ccc(NC(=O)CN(CCCO)CC(F)(F)F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is LHHRMNIRPMIUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-2-12-4-6-13(7-5-12)19-14(22)10-20(8-3-9-21)11-15(16,17)18/h4-7,21H,2-3,8-11H2,1H3,(H,19,22).
What are the key properties of N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 318.34 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 111109987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).