2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide

C18H21F3N2O3 — CID 120987274

IUPAC2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide
SMILESCCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)C(N)COC
InChIInChI=1S/C18H21F3N2O3/c1-3-23(17(24)15(22)11-25-2)10-14-8-9-16(26-14)12-4-6-13(7-5-12)18(19,20)21/h4-9,15H,3,10-11,22H2,1-2H3
InChIKeyXQODYIYAADUOGW-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.29
Rot. Bonds7

About 2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide

2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide (PubChem CID 120987274) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide
PubChem CID120987274
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide
SMILESCCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)C(N)COC
InChIInChI=1S/C18H21F3N2O3/c1-3-23(17(24)15(22)11-25-2)10-14-8-9-16(26-14)12-4-6-13(7-5-12)18(19,20)21/h4-9,15H,3,10-11,22H2,1-2H3
InChIKeyXQODYIYAADUOGW-UHFFFAOYSA-N
XLogP3.29
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride
CID 119301822
methyl 2-amino-3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanoate
CID 170884286
2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985183
3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]propanamide
CID 154324455
2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120993063
2-[[5-(4-tert-butylphenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 122035372
ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate
CID 22934575
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 81083579
1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl acetate
CID 174586618
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
methyl (2S)-2-amino-2-[4-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 171211560
ethyl 2-amino-3-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propanoate
CID 170884863

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide?
The IUPAC name of 2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide (CID 120987274) is 2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide.
What is the SMILES notation for 2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide?
The canonical SMILES for 2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide is CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)C(N)COC.
What is the InChIKey of 2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide?
The InChIKey is XQODYIYAADUOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c1-3-23(17(24)15(22)11-25-2)10-14-8-9-16(26-14)12-4-6-13(7-5-12)18(19,20)21/h4-9,15H,3,10-11,22H2,1-2H3.
What are the key properties of 2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide?
2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide has a molecular weight of 370.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide is sourced from PubChem (CID 120987274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).