3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide

C18H19F3N2O3 — CID 119949715

IUPAC3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CC(N)c2ccccc2)cc1OCC(F)(F)F
InChIInChI=1S/C18H19F3N2O3/c1-25-15-8-7-13(9-16(15)26-11-18(19,20)21)23-17(24)10-14(22)12-5-3-2-4-6-12/h2-9,14H,10-11,22H2,1H3,(H,23,24)
InChIKeyKUMHBBSZACPIFJ-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.66
Rot. Bonds7

About 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide

3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide (PubChem CID 119949715) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide
PubChem CID119949715
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CC(N)c2ccccc2)cc1OCC(F)(F)F
InChIInChI=1S/C18H19F3N2O3/c1-25-15-8-7-13(9-16(15)26-11-18(19,20)21)23-17(24)10-14(22)12-5-3-2-4-6-12/h2-9,14H,10-11,22H2,1H3,(H,23,24)
InChIKeyKUMHBBSZACPIFJ-UHFFFAOYSA-N
XLogP3.66
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 43710838
(2S)-2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119717616
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834231
1-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717596
3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea
CID 112825805
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(N-methylanilino)propyl]urea
CID 112826091
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-(5-methylhexan-2-yl)urea
CID 112825815
3-[[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122075590
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(3-phenoxypropyl)urea
CID 112825655

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide (CID 119949715) is 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide is COc1ccc(NC(=O)CC(N)c2ccccc2)cc1OCC(F)(F)F.
What is the InChIKey of 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide?
The InChIKey is KUMHBBSZACPIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-25-15-8-7-13(9-16(15)26-11-18(19,20)21)23-17(24)10-14(22)12-5-3-2-4-6-12/h2-9,14H,10-11,22H2,1H3,(H,23,24).
What are the key properties of 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide?
3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide has a molecular weight of 368.36 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119949715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).