2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide

C22H26F3N3O4 — CID 34437207

IUPAC2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N(CC(F)(F)F)c1ccccc1OC
InChIInChI=1S/C22H26F3N3O4/c1-4-27(13-20(29)26-16-8-7-9-17(12-16)31-2)14-21(30)28(15-22(23,24)25)18-10-5-6-11-19(18)32-3/h5-12H,4,13-15H2,1-3H3,(H,26,29)
InChIKeyJBYRVLJBDCNRQU-UHFFFAOYSA-N
MW453.46 g/mol
LogP3.56
Rot. Bonds10

About 2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide

2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 34437207) has the molecular formula C22H26F3N3O4 and a molecular weight of 453.46 g/mol. Its IUPAC name is 2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
PubChem CID34437207
Molecular FormulaC22H26F3N3O4
Molecular Weight453.46 g/mol
Exact Mass453.19
IUPAC Name2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N(CC(F)(F)F)c1ccccc1OC
InChIInChI=1S/C22H26F3N3O4/c1-4-27(13-20(29)26-16-8-7-9-17(12-16)31-2)14-21(30)28(15-22(23,24)25)18-10-5-6-11-19(18)32-3/h5-12H,4,13-15H2,1-3H3,(H,26,29)
InChIKeyJBYRVLJBDCNRQU-UHFFFAOYSA-N
XLogP3.56
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide with MolForge

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Related Compounds

methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 34434223
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
2-[[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 78818021
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025809
2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113173242
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684
3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62851901
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 78831827

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide (CID 34437207) is 2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N(CC(F)(F)F)c1ccccc1OC.
What is the InChIKey of 2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is JBYRVLJBDCNRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O4/c1-4-27(13-20(29)26-16-8-7-9-17(12-16)31-2)14-21(30)28(15-22(23,24)25)18-10-5-6-11-19(18)32-3/h5-12H,4,13-15H2,1-3H3,(H,26,29).
What are the key properties of 2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide?
2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 453.46 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[2-methoxy-N-(2,2,2-trifluoroethyl)anilino]-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 34437207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).