N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

C21H30N4O5 — CID 7799659

IUPACN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)NC(=O)NCCC2=CCCCC2)C1=O
InChIInChI=1S/C21H30N4O5/c1-14-7-5-6-10-16(14)25-19(28)18(27)24(21(25)30)13-17(26)23-20(29)22-12-11-15-8-3-2-4-9-15/h8,14,16H,2-7,9-13H2,1H3,(H2,22,23,26,29)/t14-,16+/m1/s1
InChIKeyFOYYJSZGKIVUQY-ZBFHGGJFSA-N
MW418.49 g/mol
LogP2.07
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 7799659) has the molecular formula C21H30N4O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID7799659
Molecular FormulaC21H30N4O5
Molecular Weight418.49 g/mol
Exact Mass418.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESC[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)NC(=O)NCCC2=CCCCC2)C1=O
InChIInChI=1S/C21H30N4O5/c1-14-7-5-6-10-16(14)25-19(28)18(27)24(21(25)30)13-17(26)23-20(29)22-12-11-15-8-3-2-4-9-15/h8,14,16H,2-7,9-13H2,1H3,(H2,22,23,26,29)/t14-,16+/m1/s1
InChIKeyFOYYJSZGKIVUQY-ZBFHGGJFSA-N
XLogP2.07
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.07
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800024
N-[2-(4-fluorophenyl)ethyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799682
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 18084867
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17398689
N-(furan-2-ylmethylcarbamoyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800169
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903400
2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8564536
N-(2-methoxyethyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800006
N-[(2-fluorophenyl)carbamoyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799936
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(cyclooctylamino)acetamide
CID 9265253
N-tert-butyl-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800012
N-[2-(cyclohexen-1-yl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9453527

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 7799659) is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)NC(=O)NCCC2=CCCCC2)C1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is FOYYJSZGKIVUQY-ZBFHGGJFSA-N. The full InChI is InChI=1S/C21H30N4O5/c1-14-7-5-6-10-16(14)25-19(28)18(27)24(21(25)30)13-17(26)23-20(29)22-12-11-15-8-3-2-4-9-15/h8,14,16H,2-7,9-13H2,1H3,(H2,22,23,26,29)/t14-,16+/m1/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 418.49 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7799659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).