N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide

C18H24F3NO4 — CID 25494679

IUPACN-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c(OC)c1OC
InChIInChI=1S/C18H24F3NO4/c1-24-14-9-8-11(16(25-2)17(14)26-3)10-15(23)22-13-7-5-4-6-12(13)18(19,20)21/h8-9,12-13H,4-7,10H2,1-3H3,(H,22,23)/t12-,13-/m0/s1
InChIKeyKJDZUXMSOWCKJA-STQMWFEESA-N
MW375.39 g/mol
LogP3.49
Rot. Bonds6

About N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide

N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 25494679) has the molecular formula C18H24F3NO4 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID25494679
Molecular FormulaC18H24F3NO4
Molecular Weight375.39 g/mol
Exact Mass375.17
IUPAC NameN-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c(OC)c1OC
InChIInChI=1S/C18H24F3NO4/c1-24-14-9-8-11(16(25-2)17(14)26-3)10-15(23)22-13-7-5-4-6-12(13)18(19,20)21/h8-9,12-13H,4-7,10H2,1-3H3,(H,22,23)/t12-,13-/m0/s1
InChIKeyKJDZUXMSOWCKJA-STQMWFEESA-N
XLogP3.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9084467
2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 36813059
3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046784
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531905
3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43046830
N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
CID 95945674
5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 25497376
N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43430495
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 60957296
cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium
CID 6941897
cis-(1R,2S)-2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 124555929

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide (CID 25494679) is N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c(OC)c1OC.
What is the InChIKey of N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is KJDZUXMSOWCKJA-STQMWFEESA-N. The full InChI is InChI=1S/C18H24F3NO4/c1-24-14-9-8-11(16(25-2)17(14)26-3)10-15(23)22-13-7-5-4-6-12(13)18(19,20)21/h8-9,12-13H,4-7,10H2,1-3H3,(H,22,23)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 375.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 25494679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).