N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

C16H24N4O5 — CID 11930479

IUPACN-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)C1=O
InChIInChI=1S/C16H24N4O5/c1-3-8-19-13(22)14(23)20(16(19)25)9-12(21)18-15(24)17-11-7-5-4-6-10(11)2/h10-11H,3-9H2,1-2H3,(H2,17,18,21,24)/t10-,11-/m0/s1
InChIKeyNEZUKJYOEWLNQC-QWRGUYRKSA-N
MW352.39 g/mol
LogP0.59
Rot. Bonds5

About N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (PubChem CID 11930479) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
PubChem CID11930479
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC NameN-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)C1=O
InChIInChI=1S/C16H24N4O5/c1-3-8-19-13(22)14(23)20(16(19)25)9-12(21)18-15(24)17-11-7-5-4-6-10(11)2/h10-11H,3-9H2,1-2H3,(H2,17,18,21,24)/t10-,11-/m0/s1
InChIKeyNEZUKJYOEWLNQC-QWRGUYRKSA-N
XLogP0.59
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.59
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-(cyclohexylcarbamoyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626428
N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 42900503
N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756880
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 7738271
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 46810709
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
CID 94157809
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8630507
N-(cyclopentylcarbamoyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652362
2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 97221018
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11919445
2-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7777606

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (CID 11930479) is N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is CCCN1C(=O)C(=O)N(CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)C1=O.
What is the InChIKey of N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The InChIKey is NEZUKJYOEWLNQC-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H24N4O5/c1-3-8-19-13(22)14(23)20(16(19)25)9-12(21)18-15(24)17-11-7-5-4-6-10(11)2/h10-11H,3-9H2,1-2H3,(H2,17,18,21,24)/t10-,11-/m0/s1.
What are the key properties of N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 11930479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).