3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide

C18H25F3N2O2 — CID 173187310

IUPAC3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide
SMILESO=C(CCC1CCCCC1)NCCNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O2/c19-18(20,21)25-16-9-7-15(8-10-16)22-12-13-23-17(24)11-6-14-4-2-1-3-5-14/h7-10,14,22H,1-6,11-13H2,(H,23,24)
InChIKeyUWWAMWCCISWXAC-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.47
Rot. Bonds8

About 3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide

3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide (PubChem CID 173187310) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide
PubChem CID173187310
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide
SMILESO=C(CCC1CCCCC1)NCCNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O2/c19-18(20,21)25-16-9-7-15(8-10-16)22-12-13-23-17(24)11-6-14-4-2-1-3-5-14/h7-10,14,22H,1-6,11-13H2,(H,23,24)
InChIKeyUWWAMWCCISWXAC-UHFFFAOYSA-N
XLogP4.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(4-cyclohexylbutanoylamino)propylamino]phenyl] carbamate
CID 173146859
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CID 7373516
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
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2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16577681
N-[(2S)-3-cyclohexyl-1-oxo-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]-3-(3-methoxyphenyl)benzamide
CID 11180766
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108539452
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
N-[(2S)-3-cyclohexyl-1-oxo-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 11478528
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide (CID 173187310) is 3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide is O=C(CCC1CCCCC1)NCCNc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide?
The InChIKey is UWWAMWCCISWXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c19-18(20,21)25-16-9-7-15(8-10-16)22-12-13-23-17(24)11-6-14-4-2-1-3-5-14/h7-10,14,22H,1-6,11-13H2,(H,23,24).
What are the key properties of 3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide?
3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide has a molecular weight of 358.40 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-[4-(trifluoromethoxy)anilino]ethyl]propanamide is sourced from PubChem (CID 173187310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).