5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide

C23H26F6N2O2 — CID 87305550

IUPAC5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide
SMILESNCCCCC(=O)NCC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C23H26F6N2O2/c24-22(25,26)19-10-16(11-20(12-19)23(27,28)29)14-33-15-18(17-6-2-1-3-7-17)13-31-21(32)8-4-5-9-30/h1-3,6-7,10-12,18H,4-5,8-9,13-15,30H2,(H,31,32)
InChIKeyCNCSNQVMOHPTII-UHFFFAOYSA-N
MW476.46 g/mol
LogP5.27
Rot. Bonds11

About 5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide

5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide (PubChem CID 87305550) has the molecular formula C23H26F6N2O2 and a molecular weight of 476.46 g/mol. Its IUPAC name is 5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide
PubChem CID87305550
Molecular FormulaC23H26F6N2O2
Molecular Weight476.46 g/mol
Exact Mass476.19
IUPAC Name5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide
SMILESNCCCCC(=O)NCC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C23H26F6N2O2/c24-22(25,26)19-10-16(11-20(12-19)23(27,28)29)14-33-15-18(17-6-2-1-3-7-17)13-31-21(32)8-4-5-9-30/h1-3,6-7,10-12,18H,4-5,8-9,13-15,30H2,(H,31,32)
InChIKeyCNCSNQVMOHPTII-UHFFFAOYSA-N
XLogP5.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.46
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-N-{3-[(R)-1-(3,5-bis-trifluoromethyl-phenyl)-ethoxymethyl]-3-phenyl-cyclobutyl}-acetamide
CID 10173872
(S)-5-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentylamino)methyl)pyrrolidin-2-one
CID 22885696
(S)-5-((((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentyl)(methyl)amino)methyl)pyrrolidin-2-one
CID 22885697
2-[1-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2,2-diphenyl-ethylamino]-acetamide
CID 22901329
N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
(5S,6S,7S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-7-methylazepan-2-one
CID 11983278
2-[(S)-1-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2,2-diphenyl-ethylamino]-acetamide
CID 44299271
(5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)azepan-2-one
CID 44412207
(4R,5S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)azepan-2-one
CID 44412225
(5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-1-methylazepan-2-one
CID 44412226
(3R,5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-1,3-dimethylazepan-2-one
CID 44412373
(3R,5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-3-methylazepan-2-one
CID 44412445

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide?
The IUPAC name of 5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide (CID 87305550) is 5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide.
What is the SMILES notation for 5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide?
The canonical SMILES for 5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide is NCCCCC(=O)NCC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide?
The InChIKey is CNCSNQVMOHPTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F6N2O2/c24-22(25,26)19-10-16(11-20(12-19)23(27,28)29)14-33-15-18(17-6-2-1-3-7-17)13-31-21(32)8-4-5-9-30/h1-3,6-7,10-12,18H,4-5,8-9,13-15,30H2,(H,31,32).
What are the key properties of 5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide?
5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide has a molecular weight of 476.46 g/mol, XLogP of 5.27, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide is sourced from PubChem (CID 87305550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).