2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C16H21F3N2O2 — CID 120785560

IUPAC2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H21F3N2O2/c1-21(15(22)14(20)11-6-8-23-9-7-11)10-12-4-2-3-5-13(12)16(17,18)19/h2-5,11,14H,6-10,20H2,1H3
InChIKeyKVCIHLSDHNQFTD-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.42
Rot. Bonds4

About 2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 120785560) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID120785560
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C16H21F3N2O2/c1-21(15(22)14(20)11-6-8-23-9-7-11)10-12-4-2-3-5-13(12)16(17,18)19/h2-5,11,14H,6-10,20H2,1H3
InChIKeyKVCIHLSDHNQFTD-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786847
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783983
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783873
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 120795230
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120784326
2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120786132
cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 77091258
2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120794368
1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 112817992
1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 103779552
2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792183
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783894

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 120785560) is 2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is CN(Cc1ccccc1C(F)(F)F)C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is KVCIHLSDHNQFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-21(15(22)14(20)11-6-8-23-9-7-11)10-12-4-2-3-5-13(12)16(17,18)19/h2-5,11,14H,6-10,20H2,1H3.
What are the key properties of 2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 330.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 120785560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).