5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide

C18H25F3N2O3 — CID 87583063

IUPAC5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide
SMILESCN(C)C(=O)CCCCc1cccc(CCC(O)NC(=O)C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O3/c1-23(2)16(25)9-4-3-6-13-7-5-8-14(12-13)10-11-15(24)22-17(26)18(19,20)21/h5,7-8,12,15,24H,3-4,6,9-11H2,1-2H3,(H,22,26)
InChIKeyCSLIYRJEGVHXSL-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.42
Rot. Bonds9

About 5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide

5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide (PubChem CID 87583063) has the molecular formula C18H25F3N2O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide.

Molecular Properties

Compound Name5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide
PubChem CID87583063
Molecular FormulaC18H25F3N2O3
Molecular Weight374.40 g/mol
Exact Mass374.18
IUPAC Name5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide
SMILESCN(C)C(=O)CCCCc1cccc(CCC(O)NC(=O)C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O3/c1-23(2)16(25)9-4-3-6-13-7-5-8-14(12-13)10-11-15(24)22-17(26)18(19,20)21/h5,7-8,12,15,24H,3-4,6,9-11H2,1-2H3,(H,22,26)
InChIKeyCSLIYRJEGVHXSL-UHFFFAOYSA-N
XLogP2.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;hydrochloride
CID 66743271
(4R)-N,N-dimethyl-5-phenyl-4-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 102062038
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
N,N-dimethyl-5-(3-propylphenoxy)pentanamide
CID 173258398
(2S)-5-phenyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 14390812
5-[3-[3-(3-chlorophenyl)propoxy]phenyl]-5,5-difluoro-N,N-dimethylpentanamide
CID 159598706
2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide
CID 91068402
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 60999621
(2R)-4-(3-fluoro-4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 91390875
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695
N,N-dimethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 55062373

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide?
The IUPAC name of 5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide (CID 87583063) is 5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide.
What is the SMILES notation for 5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide?
The canonical SMILES for 5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide is CN(C)C(=O)CCCCc1cccc(CCC(O)NC(=O)C(F)(F)F)c1.
What is the InChIKey of 5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide?
The InChIKey is CSLIYRJEGVHXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O3/c1-23(2)16(25)9-4-3-6-13-7-5-8-14(12-13)10-11-15(24)22-17(26)18(19,20)21/h5,7-8,12,15,24H,3-4,6,9-11H2,1-2H3,(H,22,26).
What are the key properties of 5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide?
5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide has a molecular weight of 374.40 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl]-N,N-dimethylpentanamide is sourced from PubChem (CID 87583063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).