methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate

C14H16F3N3O4 — CID 9286444

IUPACmethyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O4/c1-20(8-12(22)19-13(23)24-2)7-11(21)18-10-6-4-3-5-9(10)14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,21)(H,19,22,23)
InChIKeyINHOEOSUYVVUHG-UHFFFAOYSA-N
MW347.29 g/mol
LogP1.46
Rot. Bonds5

About methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate

methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate (PubChem CID 9286444) has the molecular formula C14H16F3N3O4 and a molecular weight of 347.29 g/mol. Its IUPAC name is methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate
PubChem CID9286444
Molecular FormulaC14H16F3N3O4
Molecular Weight347.29 g/mol
Exact Mass347.11
IUPAC Namemethyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O4/c1-20(8-12(22)19-13(23)24-2)7-11(21)18-10-6-4-3-5-9(10)14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,21)(H,19,22,23)
InChIKeyINHOEOSUYVVUHG-UHFFFAOYSA-N
XLogP1.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 51171639
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286510
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-phenylphenyl)acetamide
CID 17427414
2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286477
2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600898
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16566193
2-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4883947
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27252298
2-[methyl(3-phenoxypropyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600684
3-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 24589134

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate?
The IUPAC name of methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate (CID 9286444) is methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate is COC(=O)NC(=O)CN(C)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate?
The InChIKey is INHOEOSUYVVUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O4/c1-20(8-12(22)19-13(23)24-2)7-11(21)18-10-6-4-3-5-9(10)14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,21)(H,19,22,23).
What are the key properties of methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate?
methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate has a molecular weight of 347.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate is sourced from PubChem (CID 9286444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).