4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide

C15H19F3N2O3 — CID 108934823

IUPAC4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide
SMILESO=C(CCCOc1ccccc1)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)14(22)20-10-5-9-19-13(21)8-4-11-23-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,21)(H,20,22)
InChIKeyOJVZQJXKSCQGCR-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.03
Rot. Bonds9

About 4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide

4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide (PubChem CID 108934823) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide.

Molecular Properties

Compound Name4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide
PubChem CID108934823
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide
SMILESO=C(CCCOc1ccccc1)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)14(22)20-10-5-9-19-13(21)8-4-11-23-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,21)(H,20,22)
InChIKeyOJVZQJXKSCQGCR-UHFFFAOYSA-N
XLogP2.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.03
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

5-bromo-N-(3-phenoxypropyl)pentanamide
CID 107909983
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108934115
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381
3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934905
4-oxo-4-(2-phenoxyethylamino)butanoate
CID 9156478
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934902

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide?
The IUPAC name of 4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide (CID 108934823) is 4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide.
What is the SMILES notation for 4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide?
The canonical SMILES for 4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide is O=C(CCCOc1ccccc1)NCCCNC(=O)C(F)(F)F.
What is the InChIKey of 4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide?
The InChIKey is OJVZQJXKSCQGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c16-15(17,18)14(22)20-10-5-9-19-13(21)8-4-11-23-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,21)(H,20,22).
What are the key properties of 4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide?
4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide has a molecular weight of 332.32 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide is sourced from PubChem (CID 108934823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).