N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide

C22H26F3N3O4 — CID 2440684

IUPACN-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide
SMILESCCOc1ccc(Oc2ccc(C(F)(F)F)cc2NCC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C22H26F3N3O4/c1-5-31-15-7-9-16(10-8-15)32-18-11-6-14(22(23,24)25)12-17(18)26-13-19(29)27-20(30)28-21(2,3)4/h6-12,26H,5,13H2,1-4H3,(H2,27,28,29,30)
InChIKeyMPJKWKYUZPUBGB-UHFFFAOYSA-N
MW453.46 g/mol
LogP4.93
Rot. Bonds7

About N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide

N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide (PubChem CID 2440684) has the molecular formula C22H26F3N3O4 and a molecular weight of 453.46 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide
PubChem CID2440684
Molecular FormulaC22H26F3N3O4
Molecular Weight453.46 g/mol
Exact Mass453.19
IUPAC NameN-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide
SMILESCCOc1ccc(Oc2ccc(C(F)(F)F)cc2NCC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C22H26F3N3O4/c1-5-31-15-7-9-16(10-8-15)32-18-11-6-14(22(23,24)25)12-17(18)26-13-19(29)27-20(30)28-21(2,3)4/h6-12,26H,5,13H2,1-4H3,(H2,27,28,29,30)
InChIKeyMPJKWKYUZPUBGB-UHFFFAOYSA-N
XLogP4.93
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide
CID 47077756
(3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 26918034
(1R,2R,4R)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 11921158
N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 24505901
1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55336924
2-[2-(4-bromophenoxy)-5-(trifluoromethyl)anilino]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 129376550
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide
CID 60587911
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 112766844
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-ethoxybenzamide
CID 1235281
N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 42070595

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide (CID 2440684) is N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide is CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NCC(=O)NC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide?
The InChIKey is MPJKWKYUZPUBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O4/c1-5-31-15-7-9-16(10-8-15)32-18-11-6-14(22(23,24)25)12-17(18)26-13-19(29)27-20(30)28-21(2,3)4/h6-12,26H,5,13H2,1-4H3,(H2,27,28,29,30).
What are the key properties of N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide?
N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide has a molecular weight of 453.46 g/mol, XLogP of 4.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 2440684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).