2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H23F3N2O2 — CID 16577681

IUPAC2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CCCCCC1
InChIInChI=1S/C17H23F3N2O2/c1-22(14-6-4-2-3-5-7-14)12-16(23)21-13-8-10-15(11-9-13)24-17(18,19)20/h8-11,14H,2-7,12H2,1H3,(H,21,23)
InChIKeyVCVFRJKVMKUEMM-UHFFFAOYSA-N
MW344.38 g/mol
LogP4.18
Rot. Bonds5

About 2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 16577681) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID16577681
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CCCCCC1
InChIInChI=1S/C17H23F3N2O2/c1-22(14-6-4-2-3-5-7-14)12-16(23)21-13-8-10-15(11-9-13)24-17(18,19)20/h8-11,14H,2-7,12H2,1H3,(H,21,23)
InChIKeyVCVFRJKVMKUEMM-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089
N-cyclohexyl-N-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]benzamide
CID 55920262
2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641907
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] N,N-dicyclohexylcarbamodithioate
CID 87047998
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 36674099
2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366251
2-[cyclohexyl(methyl)amino]-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54817207
propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
CID 54817758
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 16577758

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 16577681) is 2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide is CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is VCVFRJKVMKUEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-22(14-6-4-2-3-5-7-14)12-16(23)21-13-8-10-15(11-9-13)24-17(18,19)20/h8-11,14H,2-7,12H2,1H3,(H,21,23).
What are the key properties of 2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 344.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 16577681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).