3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide

C20H23F3N2O2 — CID 119163983

IUPAC3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccccc1C(F)(F)F)NCCCOc1ccccc1
InChIInChI=1S/C20H23F3N2O2/c1-15(24-12-7-13-27-16-8-3-2-4-9-16)14-19(26)25-18-11-6-5-10-17(18)20(21,22)23/h2-6,8-11,15,24H,7,12-14H2,1H3,(H,25,26)
InChIKeyFKTCCEGYHLTPCR-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.48
Rot. Bonds9

About 3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide

3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 119163983) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID119163983
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)Nc1ccccc1C(F)(F)F)NCCCOc1ccccc1
InChIInChI=1S/C20H23F3N2O2/c1-15(24-12-7-13-27-16-8-3-2-4-9-16)14-19(26)25-18-11-6-5-10-17(18)20(21,22)23/h2-6,8-11,15,24H,7,12-14H2,1H3,(H,25,26)
InChIKeyFKTCCEGYHLTPCR-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.48
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

3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600684
3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109031142
4-phenoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide
CID 19188424
(3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide
CID 97019377
1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112972906
3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 108789991
N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide
CID 62378949
2-(3-phenoxypropylamino)-N-propylpropanamide
CID 60695598
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1185791
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381
N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide
CID 92844284

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide (CID 119163983) is 3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide is CC(CC(=O)Nc1ccccc1C(F)(F)F)NCCCOc1ccccc1.
What is the InChIKey of 3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is FKTCCEGYHLTPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-15(24-12-7-13-27-16-8-3-2-4-9-16)14-19(26)25-18-11-6-5-10-17(18)20(21,22)23/h2-6,8-11,15,24H,7,12-14H2,1H3,(H,25,26).
What are the key properties of 3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide?
3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 380.41 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxypropylamino)-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 119163983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).