2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide

C28H41N3O3 — CID 26716014

IUPAC2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
SMILESCC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C3CCCCC3)C3CCCCC3)C2=O)cc1
InChIInChI=1S/C28H41N3O3/c1-27(2,3)20-15-17-21(18-16-20)28(4)25(33)30(26(34)29-28)19-24(32)31(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h15-18,22-23H,5-14,19H2,1-4H3,(H,29,34)/t28-/m1/s1
InChIKeyCAVUNVZWNNSHKW-MUUNZHRXSA-N
MW467.65 g/mol
LogP5.25
Rot. Bonds5

About 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide

2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide (PubChem CID 26716014) has the molecular formula C28H41N3O3 and a molecular weight of 467.65 g/mol. Its IUPAC name is 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide.

Molecular Properties

Compound Name2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
PubChem CID26716014
Molecular FormulaC28H41N3O3
Molecular Weight467.65 g/mol
Exact Mass467.31
IUPAC Name2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
SMILESCC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C3CCCCC3)C3CCCCC3)C2=O)cc1
InChIInChI=1S/C28H41N3O3/c1-27(2,3)20-15-17-21(18-16-20)28(4)25(33)30(26(34)29-28)19-24(32)31(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h15-18,22-23H,5-14,19H2,1-4H3,(H,29,34)/t28-/m1/s1
InChIKeyCAVUNVZWNNSHKW-MUUNZHRXSA-N
XLogP5.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.65
LogP ≤ 55.25
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

N,N-dicyclohexyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42964935
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 51139022
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 41100880
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 4797085
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 26918173
N-cyclohexyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 6993214
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520357
N-[(2S)-butan-2-yl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51673263
N-cyclopentyl-N-cyclopropyl-2-[4-(2,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 87019809
N-cyclohexyl-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 2703303
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-ethylacetamide
CID 7692105
N,N-dicyclohexyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42982708

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide?
The IUPAC name of 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide (CID 26716014) is 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide.
What is the SMILES notation for 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide?
The canonical SMILES for 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide is CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C3CCCCC3)C3CCCCC3)C2=O)cc1.
What is the InChIKey of 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide?
The InChIKey is CAVUNVZWNNSHKW-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H41N3O3/c1-27(2,3)20-15-17-21(18-16-20)28(4)25(33)30(26(34)29-28)19-24(32)31(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h15-18,22-23H,5-14,19H2,1-4H3,(H,29,34)/t28-/m1/s1.
What are the key properties of 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide?
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide has a molecular weight of 467.65 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide is sourced from PubChem (CID 26716014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).