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

C16H21F3N2O3 — CID 120789376

IUPAC2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESNC(C(=O)NCc1ccccc1OCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)10-24-13-4-2-1-3-12(13)9-21-15(22)14(20)11-5-7-23-8-6-11/h1-4,11,14H,5-10,20H2,(H,21,22)
InChIKeyNQXZAUZCCQSBPH-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.00
Rot. Bonds6

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

2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (PubChem CID 120789376) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
PubChem CID120789376
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESNC(C(=O)NCc1ccccc1OCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)10-24-13-4-2-1-3-12(13)9-21-15(22)14(20)11-5-7-23-8-6-11/h1-4,11,14H,5-10,20H2,(H,21,22)
InChIKeyNQXZAUZCCQSBPH-UHFFFAOYSA-N
XLogP2.00
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 120797967
2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799114
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120791678
2-amino-N-[[2-(4-methylphenoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120792516
(2S)-2-amino-3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 119744415
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119744429
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795648

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (CID 120789376) is 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is NC(C(=O)NCc1ccccc1OCC(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The InChIKey is NQXZAUZCCQSBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c17-16(18,19)10-24-13-4-2-1-3-12(13)9-21-15(22)14(20)11-5-7-23-8-6-11/h1-4,11,14H,5-10,20H2,(H,21,22).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide has a molecular weight of 346.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 120789376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).