N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C21H29N3O3 — CID 100814193

IUPACN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1
InChIInChI=1S/C21H29N3O3/c1-13-8-10-16(11-9-13)21(4)19(26)24(20(27)23-21)12-18(25)22-17-7-5-6-14(2)15(17)3/h8-11,14-15,17H,5-7,12H2,1-4H3,(H,22,25)(H,23,27)/t14-,15+,17-,21+/m1/s1
InChIKeyFQDRGOXCAKQSEQ-QJLMEOIESA-N
MW371.48 g/mol
LogP2.70
Rot. Bonds4

About N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 100814193) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID100814193
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1
InChIInChI=1S/C21H29N3O3/c1-13-8-10-16(11-9-13)21(4)19(26)24(20(27)23-21)12-18(25)22-17-7-5-6-14(2)15(17)3/h8-11,14-15,17H,5-7,12H2,1-4H3,(H,22,25)(H,23,27)/t14-,15+,17-,21+/m1/s1
InChIKeyFQDRGOXCAKQSEQ-QJLMEOIESA-N
XLogP2.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 124719135
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 124723066
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11888799
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553932
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 93011595
N-cyclopentyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582043
N-[(1S,2S)-2-methylcyclohexyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 11924760
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 95165836
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124838283
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 11892072
N-(2-adamantyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7242542
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7483939

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 100814193) is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1.
What is the InChIKey of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is FQDRGOXCAKQSEQ-QJLMEOIESA-N. The full InChI is InChI=1S/C21H29N3O3/c1-13-8-10-16(11-9-13)21(4)19(26)24(20(27)23-21)12-18(25)22-17-7-5-6-14(2)15(17)3/h8-11,14-15,17H,5-7,12H2,1-4H3,(H,22,25)(H,23,27)/t14-,15+,17-,21+/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 100814193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).