5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide

C26H33F4N3O3 — CID 142195606

IUPAC5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide
SMILESCc1cc(F)cc(OCCCCC(=O)NCC(=O)CNCCCNCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C26H33F4N3O3/c1-19-12-22(27)15-24(13-19)36-11-3-2-8-25(35)33-18-23(34)17-32-10-5-9-31-16-20-6-4-7-21(14-20)26(28,29)30/h4,6-7,12-15,31-32H,2-3,5,8-11,16-18H2,1H3,(H,33,35)
InChIKeyFZPFSZDKLFHANV-UHFFFAOYSA-N
MW511.56 g/mol
LogP4.16
Rot. Bonds16

About 5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide

5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide (PubChem CID 142195606) has the molecular formula C26H33F4N3O3 and a molecular weight of 511.56 g/mol. Its IUPAC name is 5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide.

Molecular Properties

Compound Name5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide
PubChem CID142195606
Molecular FormulaC26H33F4N3O3
Molecular Weight511.56 g/mol
Exact Mass511.25
IUPAC Name5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide
SMILESCc1cc(F)cc(OCCCCC(=O)NCC(=O)CNCCCNCc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C26H33F4N3O3/c1-19-12-22(27)15-24(13-19)36-11-3-2-8-25(35)33-18-23(34)17-32-10-5-9-31-16-20-6-4-7-21(14-20)26(28,29)30/h4,6-7,12-15,31-32H,2-3,5,8-11,16-18H2,1H3,(H,33,35)
InChIKeyFZPFSZDKLFHANV-UHFFFAOYSA-N
XLogP4.16
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.56
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 8871410
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176
N-benzyl-4-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 18176646
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 28830273
ethane;5-[3-[(2S)-4-[(3-ethylphenyl)methylamino]-2-(methylamino)butyl]-5-fluorophenoxy]-N-(2-oxoethyl)pentanamide;propane
CID 142195482
2-[5-[3-[[3-(trifluoromethyl)phenyl]methylamino]propoxy]cyclohexa-2,4-dien-1-ylidene]acetic acid
CID 151846950
3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43090002
N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 60761684
1-[3-(4-methoxyphenoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60580823

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide?
The IUPAC name of 5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide (CID 142195606) is 5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide.
What is the SMILES notation for 5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide?
The canonical SMILES for 5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide is Cc1cc(F)cc(OCCCCC(=O)NCC(=O)CNCCCNCc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide?
The InChIKey is FZPFSZDKLFHANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F4N3O3/c1-19-12-22(27)15-24(13-19)36-11-3-2-8-25(35)33-18-23(34)17-32-10-5-9-31-16-20-6-4-7-21(14-20)26(28,29)30/h4,6-7,12-15,31-32H,2-3,5,8-11,16-18H2,1H3,(H,33,35).
What are the key properties of 5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide?
5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide has a molecular weight of 511.56 g/mol, XLogP of 4.16, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5-methylphenoxy)-N-[2-oxo-3-[3-[[3-(trifluoromethyl)phenyl]methylamino]propylamino]propyl]pentanamide is sourced from PubChem (CID 142195606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).