N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide

C19H28N6O3 — CID 129326259

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide
SMILESCC(C)n1cc(C[C@H]2NC(=O)N(CC(=O)NCCC3=CCCCC3)C2=O)nn1
InChIInChI=1S/C19H28N6O3/c1-13(2)25-11-15(22-23-25)10-16-18(27)24(19(28)21-16)12-17(26)20-9-8-14-6-4-3-5-7-14/h6,11,13,16H,3-5,7-10,12H2,1-2H3,(H,20,26)(H,21,28)/t16-/m1/s1
InChIKeyIJGBWCZIJSQGSE-MRXNPFEDSA-N
MW388.47 g/mol
LogP1.33
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide (PubChem CID 129326259) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide
PubChem CID129326259
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide
SMILESCC(C)n1cc(C[C@H]2NC(=O)N(CC(=O)NCCC3=CCCCC3)C2=O)nn1
InChIInChI=1S/C19H28N6O3/c1-13(2)25-11-15(22-23-25)10-16-18(27)24(19(28)21-16)12-17(26)20-9-8-14-6-4-3-5-7-14/h6,11,13,16H,3-5,7-10,12H2,1-2H3,(H,20,26)(H,21,28)/t16-/m1/s1
InChIKeyIJGBWCZIJSQGSE-MRXNPFEDSA-N
XLogP1.33
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 115458989
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide
CID 114154047
2-[(4R)-4-(4-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 27044420
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2579989
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
2-[(3aR,4R,7aR)-4-ethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 11892472
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53050966
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 2682905
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95166273
3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
CID 166330041
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide (CID 129326259) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide is CC(C)n1cc(C[C@H]2NC(=O)N(CC(=O)NCCC3=CCCCC3)C2=O)nn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide?
The InChIKey is IJGBWCZIJSQGSE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-13(2)25-11-15(22-23-25)10-16-18(27)24(19(28)21-16)12-17(26)20-9-8-14-6-4-3-5-7-14/h6,11,13,16H,3-5,7-10,12H2,1-2H3,(H,20,26)(H,21,28)/t16-/m1/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(4R)-2,5-dioxo-4-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 129326259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).