2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide

C26H28N4O5 — CID 40842843

IUPAC2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)c1
InChIInChI=1S/C26H28N4O5/c1-16-8-7-10-18(14-16)27-23(32)19-11-4-5-12-20(19)28-22(31)15-29-24(33)25(34)30(26(29)35)21-13-6-3-9-17(21)2/h4-5,7-8,10-12,14,17,21H,3,6,9,13,15H2,1-2H3,(H,27,32)(H,28,31)/t17-,21+/m0/s1
InChIKeyUGFLTWMKOOGMCG-LAUBAEHRSA-N
MW476.53 g/mol
LogP3.56
Rot. Bonds6

About 2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide

2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 40842843) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID40842843
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)c1
InChIInChI=1S/C26H28N4O5/c1-16-8-7-10-18(14-16)27-23(32)19-11-4-5-12-20(19)28-22(31)15-29-24(33)25(34)30(26(29)35)21-13-6-3-9-17(21)2/h4-5,7-8,10-12,14,17,21H,3,6,9,13,15H2,1-2H3,(H,27,32)(H,28,31)/t17-,21+/m0/s1
InChIKeyUGFLTWMKOOGMCG-LAUBAEHRSA-N
XLogP3.56
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 39951715
ethyl 2-[[2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 7800605
2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 7800483
N-(2,4-dimethylphenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800530
2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 7800406
N-(2,4-dimethylphenyl)-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800531
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8874197
2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 9201030
N-(2,6-dimethylphenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800366
N-(2,6-dimethylphenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800363
2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 7800627
2-[3-(2-methylcyclohexyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 42900159

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide (CID 40842843) is 2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)c1.
What is the InChIKey of 2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is UGFLTWMKOOGMCG-LAUBAEHRSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-16-8-7-10-18(14-16)27-23(32)19-11-4-5-12-20(19)28-22(31)15-29-24(33)25(34)30(26(29)35)21-13-6-3-9-17(21)2/h4-5,7-8,10-12,14,17,21H,3,6,9,13,15H2,1-2H3,(H,27,32)(H,28,31)/t17-,21+/m0/s1.
What are the key properties of 2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide?
2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 476.53 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 40842843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).