2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide

C18H25F3N2O2 — CID 87344500

IUPAC2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide
SMILESO=C(NCCCc1cccc(NCC2(O)CCCCC2)c1)C(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c19-18(20,21)16(24)22-11-5-7-14-6-4-8-15(12-14)23-13-17(25)9-2-1-3-10-17/h4,6,8,12,23,25H,1-3,5,7,9-11,13H2,(H,22,24)
InChIKeyJMCJSBXRPONCTR-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.40
Rot. Bonds7

About 2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide

2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide (PubChem CID 87344500) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide
PubChem CID87344500
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide
SMILESO=C(NCCCc1cccc(NCC2(O)CCCCC2)c1)C(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c19-18(20,21)16(24)22-11-5-7-14-6-4-8-15(12-14)23-13-17(25)9-2-1-3-10-17/h4,6,8,12,23,25H,1-3,5,7,9-11,13H2,(H,22,24)
InChIKeyJMCJSBXRPONCTR-UHFFFAOYSA-N
XLogP3.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide with MolForge

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Related Compounds

1-[(3-butylanilino)methyl]cyclohexan-1-ol
CID 90045580
1-[[3-(3-amino-3-hydroxypropyl)anilino]methyl]cyclohexan-1-ol;hydrochloride
CID 67296595
N'-[(1-hydroxycyclopentyl)methyl]-N-(3-phenylpropyl)oxamide
CID 111332854
2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 111537902
1-[(3-chloroanilino)methyl]cyclobutan-1-ol
CID 131701731
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 58723639
2,2,2-trifluoro-N-[3-[3-[3-hydroxy-5-methyl-3-(2-methylpropyl)hex-1-ynyl]phenyl]propyl]acetamide
CID 87082202
1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol
CID 153216457
N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 86611680
2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide
CID 76624638
3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one
CID 46195405

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide (CID 87344500) is 2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide is O=C(NCCCc1cccc(NCC2(O)CCCCC2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide?
The InChIKey is JMCJSBXRPONCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c19-18(20,21)16(24)22-11-5-7-14-6-4-8-15(12-14)23-13-17(25)9-2-1-3-10-17/h4,6,8,12,23,25H,1-3,5,7,9-11,13H2,(H,22,24).
What are the key properties of 2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide?
2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide is sourced from PubChem (CID 87344500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).