N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide

C15H20F3NO3 — CID 134439236

IUPACN-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
SMILESCCC(C)N(C)C(=O)C(O)(c1cccc(OC)c1)C(F)(F)F
InChIInChI=1S/C15H20F3NO3/c1-5-10(2)19(3)13(20)14(21,15(16,17)18)11-7-6-8-12(9-11)22-4/h6-10,21H,5H2,1-4H3
InChIKeyDTPYWHDQDCKDPA-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.70
Rot. Bonds5

About N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide

N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide (PubChem CID 134439236) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
PubChem CID134439236
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC NameN-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
SMILESCCC(C)N(C)C(=O)C(O)(c1cccc(OC)c1)C(F)(F)F
InChIInChI=1S/C15H20F3NO3/c1-5-10(2)19(3)13(20)14(21,15(16,17)18)11-7-6-8-12(9-11)22-4/h6-10,21H,5H2,1-4H3
InChIKeyDTPYWHDQDCKDPA-UHFFFAOYSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide
CID 142324962
3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methyl-N-[3-(piperidin-4-ylmethyl)cyclobutyl]propanamide
CID 134439251
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol
CID 90977706
N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide
CID 172775703
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide
CID 142321476
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
CID 116841485
(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;hydrochloride
CID 67043376
2-chloro-N-methyl-4-[4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]amino]propyl]piperidin-1-yl]-N-propan-2-ylbenzamide
CID 142321282
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
CID 91442545

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide (CID 134439236) is N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide is CCC(C)N(C)C(=O)C(O)(c1cccc(OC)c1)C(F)(F)F.
What is the InChIKey of N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide?
The InChIKey is DTPYWHDQDCKDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3/c1-5-10(2)19(3)13(20)14(21,15(16,17)18)11-7-6-8-12(9-11)22-4/h6-10,21H,5H2,1-4H3.
What are the key properties of N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide?
N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide has a molecular weight of 319.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 134439236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).