2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C18H21F3N2O2 — CID 90554659

IUPAC2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1cc(CC(=O)N(CC(F)(F)F)C2CCOCC2)c2ccccc21
InChIInChI=1S/C18H21F3N2O2/c1-22-11-13(15-4-2-3-5-16(15)22)10-17(24)23(12-18(19,20)21)14-6-8-25-9-7-14/h2-5,11,14H,6-10,12H2,1H3
InChIKeyLYRHQHDIBOPYMX-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.29
Rot. Bonds4

About 2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 90554659) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID90554659
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1cc(CC(=O)N(CC(F)(F)F)C2CCOCC2)c2ccccc21
InChIInChI=1S/C18H21F3N2O2/c1-22-11-13(15-4-2-3-5-16(15)22)10-17(24)23(12-18(19,20)21)14-6-8-25-9-7-14/h2-5,11,14H,6-10,12H2,1H3
InChIKeyLYRHQHDIBOPYMX-UHFFFAOYSA-N
XLogP3.29
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607262
N-cyclopropyl-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 67395295
2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796110
N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796129
4-(1,3-dioxoisoindol-2-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 90554824
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid
CID 119195131
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
2-(1-methylindol-3-yl)-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]acetamide
CID 136528352
3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697832
2-(1-methylindol-3-yl)acetyl cyanide
CID 71772687
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 90554659) is 2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cn1cc(CC(=O)N(CC(F)(F)F)C2CCOCC2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LYRHQHDIBOPYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-22-11-13(15-4-2-3-5-16(15)22)10-17(24)23(12-18(19,20)21)14-6-8-25-9-7-14/h2-5,11,14H,6-10,12H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 354.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 90554659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).