N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C20H24F3N3O3 — CID 140682230

IUPACN-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(C)C(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O
InChIInChI=1S/C20H24F3N3O3/c1-11(2)15(9-12-3-5-14(6-4-12)20(21,22)23)16(27)24-10-19(13-7-8-13)17(28)25-18(29)26-19/h3-6,11,13,15H,7-10H2,1-2H3,(H,24,27)(H2,25,26,28,29)/t15?,19-/m0/s1
InChIKeyVXXYNKXMRXANKX-FUBQLUNQSA-N
MW411.42 g/mol
LogP2.62
Rot. Bonds7

About N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide

N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 140682230) has the molecular formula C20H24F3N3O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID140682230
Molecular FormulaC20H24F3N3O3
Molecular Weight411.42 g/mol
Exact Mass411.18
IUPAC NameN-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(C)C(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O
InChIInChI=1S/C20H24F3N3O3/c1-11(2)15(9-12-3-5-14(6-4-12)20(21,22)23)16(27)24-10-19(13-7-8-13)17(28)25-18(29)26-19/h3-6,11,13,15H,7-10H2,1-2H3,(H,24,27)(H2,25,26,28,29)/t15?,19-/m0/s1
InChIKeyVXXYNKXMRXANKX-FUBQLUNQSA-N
XLogP2.62
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90137143
(2R)-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide
CID 118286104
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide
CID 118286106
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
CID 162696800
(2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 130342962
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 120943626
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1,5-dimethyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
CID 163908439
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propyl]imidazolidine-2,4-dione
CID 156823176
2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 56793953
N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461371
3,3-difluoro-1-[[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]cyclobutane-1-carboxylic acid
CID 155956636
(5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156822921

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 140682230) is N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide is CC(C)C(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O.
What is the InChIKey of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is VXXYNKXMRXANKX-FUBQLUNQSA-N. The full InChI is InChI=1S/C20H24F3N3O3/c1-11(2)15(9-12-3-5-14(6-4-12)20(21,22)23)16(27)24-10-19(13-7-8-13)17(28)25-18(29)26-19/h3-6,11,13,15H,7-10H2,1-2H3,(H,24,27)(H2,25,26,28,29)/t15?,19-/m0/s1.
What are the key properties of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 411.42 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 140682230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).