N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

C22H33N3O3 — CID 78814409

IUPACN-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCC(C)C(NC(=O)CCCN1C(=O)CN(C)C1=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H33N3O3/c1-15(2)20(16-9-11-17(12-10-16)22(3,4)5)23-18(26)8-7-13-25-19(27)14-24(6)21(25)28/h9-12,15,20H,7-8,13-14H2,1-6H3,(H,23,26)
InChIKeyJKKRRBTVJPJRDG-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.47
Rot. Bonds7

About N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 78814409) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID78814409
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCC(C)C(NC(=O)CCCN1C(=O)CN(C)C1=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H33N3O3/c1-15(2)20(16-9-11-17(12-10-16)22(3,4)5)23-18(26)8-7-13-25-19(27)14-24(6)21(25)28/h9-12,15,20H,7-8,13-14H2,1-6H3,(H,23,26)
InChIKeyJKKRRBTVJPJRDG-UHFFFAOYSA-N
XLogP3.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]-2-phenylacetic acid
CID 119367892
3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid
CID 43360769
N-[1-(4-tert-butylphenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 134043349
N-(1,2-diphenylethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 75855427
N-[3-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 30670622
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82725201
N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 115735166
4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 18200491
3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212260
N-(3-hydroxy-2-methylpropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 65032246
N-[4-[ethyl(propan-2-yl)amino]phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78807951
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55712807

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 78814409) is N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is CC(C)C(NC(=O)CCCN1C(=O)CN(C)C1=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is JKKRRBTVJPJRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-15(2)20(16-9-11-17(12-10-16)22(3,4)5)23-18(26)8-7-13-25-19(27)14-24(6)21(25)28/h9-12,15,20H,7-8,13-14H2,1-6H3,(H,23,26).
What are the key properties of N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 387.52 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 78814409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).