N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide

C17H21F3N4O3 — CID 42944314

IUPACN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)CN(C)Cc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C17H21F3N4O3/c1-4-16(2)14(26)24(15(27)21-16)22-13(25)10-23(3)9-11-7-5-6-8-12(11)17(18,19)20/h5-8H,4,9-10H2,1-3H3,(H,21,27)(H,22,25)
InChIKeyKMUYBRIFLDAJDD-UHFFFAOYSA-N
MW386.37 g/mol
LogP1.89
Rot. Bonds6

About N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 42944314) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID42944314
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC NameN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)CN(C)Cc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C17H21F3N4O3/c1-4-16(2)14(26)24(15(27)21-16)22-13(25)10-23(3)9-11-7-5-6-8-12(11)17(18,19)20/h5-8H,4,9-10H2,1-3H3,(H,21,27)(H,22,25)
InChIKeyKMUYBRIFLDAJDD-UHFFFAOYSA-N
XLogP1.89
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 24664817
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 24665083
2-[benzyl(cyclopropyl)amino]-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 34205258
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8791201
N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]acetamide
CID 40798319
2-[(3-fluorophenyl)methyl-methylamino]-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 18088033
2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 124838905
2-[bis(furan-2-ylmethyl)amino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40880178
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 18094902
N-tert-butyl-2-[ethyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]acetamide
CID 51225716
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8694880

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 42944314) is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide is CCC1(C)NC(=O)N(NC(=O)CN(C)Cc2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is KMUYBRIFLDAJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c1-4-16(2)14(26)24(15(27)21-16)22-13(25)10-23(3)9-11-7-5-6-8-12(11)17(18,19)20/h5-8H,4,9-10H2,1-3H3,(H,21,27)(H,22,25).
What are the key properties of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 386.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 42944314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).