2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

C14H19F3N2O2 — CID 115597064

IUPAC2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1ccc(C(C)NC(C)C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-9(11-4-6-12(21-3)7-5-11)19-10(2)13(20)18-8-14(15,16)17/h4-7,9-10,19H,8H2,1-3H3,(H,18,20)
InChIKeyLBWBKMVLDOZLCM-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.41
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115597064) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115597064
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1ccc(C(C)NC(C)C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-9(11-4-6-12(21-3)7-5-11)19-10(2)13(20)18-8-14(15,16)17/h4-7,9-10,19H,8H2,1-3H3,(H,18,20)
InChIKeyLBWBKMVLDOZLCM-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Safinamide
CID 131682
Ambucetamide
CID 10616
Priralfinamide
CID 5745207
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methoxyphenyl)phenyl]ethyl]amino}pentanamide
CID 23648302
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(S)-2-((4-(Benzyloxy)benzyl)amino)propanamide
CID 10517190
N-(4-methoxybenzyl)oleamide
CID 11502240
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]amino}pentanamide
CID 23648304
inhibitor 23 [PMID: 29614224]
CID 133081968
N-((4-methoxyphenyl)methyl)acetamide
CID 37050
2-ethyl-N-(4-methoxybenzyl)butanamide
CID 882141

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115597064) is 2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is COc1ccc(C(C)NC(C)C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LBWBKMVLDOZLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9(11-4-6-12(21-3)7-5-11)19-10(2)13(20)18-8-14(15,16)17/h4-7,9-10,19H,8H2,1-3H3,(H,18,20).
What are the key properties of 2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 304.31 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115597064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).