2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide

C17H18F3NO3 — CID 23091176

IUPAC2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide
SMILESCOc1ccc2ccccc2c1C(NC(=O)C(F)(F)F)C(C)(C)O
InChIInChI=1S/C17H18F3NO3/c1-16(2,23)14(21-15(22)17(18,19)20)13-11-7-5-4-6-10(11)8-9-12(13)24-3/h4-9,14,23H,1-3H3,(H,21,22)
InChIKeyQMOPSUCODGQBIB-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.34
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide

2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide (PubChem CID 23091176) has the molecular formula C17H18F3NO3 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide
PubChem CID23091176
Molecular FormulaC17H18F3NO3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC Name2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide
SMILESCOc1ccc2ccccc2c1C(NC(=O)C(F)(F)F)C(C)(C)O
InChIInChI=1S/C17H18F3NO3/c1-16(2,23)14(21-15(22)17(18,19)20)13-11-7-5-4-6-10(11)8-9-12(13)24-3/h4-9,14,23H,1-3H3,(H,21,22)
InChIKeyQMOPSUCODGQBIB-UHFFFAOYSA-N
XLogP3.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol
CID 171243959
2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide
CID 11779359
methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
CID 62224921
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63650219
(3R)-3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63649897
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
CID 61150374
N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide
CID 23140848
(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 171311917
2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid
CID 43754305
2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387957

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide (CID 23091176) is 2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide is COc1ccc2ccccc2c1C(NC(=O)C(F)(F)F)C(C)(C)O.
What is the InChIKey of 2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide?
The InChIKey is QMOPSUCODGQBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3/c1-16(2,23)14(21-15(22)17(18,19)20)13-11-7-5-4-6-10(11)8-9-12(13)24-3/h4-9,14,23H,1-3H3,(H,21,22).
What are the key properties of 2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide?
2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide has a molecular weight of 341.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-hydroxy-1-(2-methoxynaphthalen-1-yl)-2-methylpropyl]acetamide is sourced from PubChem (CID 23091176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).