N-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide

C14H18F3NO2 — CID 134858827

IUPACN-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide
SMILESCOC(CCc1ccccc1)(CC(F)(F)F)NC(C)=O
InChIInChI=1S/C14H18F3NO2/c1-11(19)18-13(20-2,10-14(15,16)17)9-8-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,18,19)
InChIKeySAUXMRQYINSSQE-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.05
Rot. Bonds6

About N-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide

N-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide (PubChem CID 134858827) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide
PubChem CID134858827
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide
SMILESCOC(CCc1ccccc1)(CC(F)(F)F)NC(C)=O
InChIInChI=1S/C14H18F3NO2/c1-11(19)18-13(20-2,10-14(15,16)17)9-8-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,18,19)
InChIKeySAUXMRQYINSSQE-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyano-1-hydroxy-3-phenylpropyl)acetamide
CID 141033040
(3-acetamido-3-methyl-5-phenylpentyl) acetate
CID 10683940
N-[(2S)-1-bromo-2-(hydroxymethyl)-4-phenylbutan-2-yl]acetamide
CID 138964694
[2-acetamido-2-(acetyloxymethyl)-4-[4-(4-phenylbutyl)phenyl]butyl] acetate
CID 143349457
N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide
CID 3658518
2,2-dimethoxy-1,4-diphenylbutan-1-one
CID 156787489
3-benzyl-3-methoxy-4-phenylbutan-2-one
CID 150312877
[(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate
CID 102595123
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid
CID 114990394
2-methoxycarbonyl-2-(methylamino)-4-phenylbutanoic acid
CID 154928945
3-benzyl-3-methoxyheptan-4-one
CID 83226742

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide?
The IUPAC name of N-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide (CID 134858827) is N-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide.
What is the SMILES notation for N-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide?
The canonical SMILES for N-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide is COC(CCc1ccccc1)(CC(F)(F)F)NC(C)=O.
What is the InChIKey of N-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide?
The InChIKey is SAUXMRQYINSSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-11(19)18-13(20-2,10-14(15,16)17)9-8-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,18,19).
What are the key properties of N-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide?
N-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide has a molecular weight of 289.30 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-3-methoxy-5-phenylpentan-3-yl)acetamide is sourced from PubChem (CID 134858827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).