N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide

C20H22F3NO3 — CID 142629545

IUPACN-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide
SMILESCCc1cc(O)cc(C)c1OC(CC)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3NO3/c1-4-13-11-16(25)9-12(3)18(13)27-17(5-2)24-19(26)14-7-6-8-15(10-14)20(21,22)23/h6-11,17,25H,4-5H2,1-3H3,(H,24,26)
InChIKeyQUQTVQXHGZTPME-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.83
Rot. Bonds6

About N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide

N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide (PubChem CID 142629545) has the molecular formula C20H22F3NO3 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide
PubChem CID142629545
Molecular FormulaC20H22F3NO3
Molecular Weight381.39 g/mol
Exact Mass381.16
IUPAC NameN-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide
SMILESCCc1cc(O)cc(C)c1OC(CC)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3NO3/c1-4-13-11-16(25)9-12(3)18(13)27-17(5-2)24-19(26)14-7-6-8-15(10-14)20(21,22)23/h6-11,17,25H,4-5H2,1-3H3,(H,24,26)
InChIKeyQUQTVQXHGZTPME-UHFFFAOYSA-N
XLogP4.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 43079375
2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 43387176
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
CID 8750240
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 7936459
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
N-(1-amino-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 65191332
methyl 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate
CID 43405923
N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 113484980
[[3-(trifluoromethyl)benzoyl]amino] acetate
CID 87589767

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide (CID 142629545) is N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide is CCc1cc(O)cc(C)c1OC(CC)NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QUQTVQXHGZTPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO3/c1-4-13-11-16(25)9-12(3)18(13)27-17(5-2)24-19(26)14-7-6-8-15(10-14)20(21,22)23/h6-11,17,25H,4-5H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide?
N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide has a molecular weight of 381.39 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 142629545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).