1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea

C14H23N3O3 — CID 71852782

IUPAC1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCC(C)N1C(=O)CC(NC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C14H23N3O3/c1-9(2)17-12(18)8-11(13(17)19)16-14(20)15-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3,(H2,15,16,20)
InChIKeyFWXKNAKHRQOPEF-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.15
Rot. Bonds3

About 1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea

1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea (PubChem CID 71852782) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea
PubChem CID71852782
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCC(C)N1C(=O)CC(NC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C14H23N3O3/c1-9(2)17-12(18)8-11(13(17)19)16-14(20)15-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3,(H2,15,16,20)
InChIKeyFWXKNAKHRQOPEF-UHFFFAOYSA-N
XLogP1.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636059
1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 75495709
1-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119343946
3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 114545472
2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796323
1-cyclobutyl-3-cyclohexylurea
CID 17217147
4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 122145655
1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47103204
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea
CID 110749319
1-(3,5-dimethylphenyl)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 154737230
2-amino-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 120669178
(2R)-N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-thiophen-3-ylpropanamide
CID 98343599

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea (CID 71852782) is 1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea is CC(C)N1C(=O)CC(NC(=O)NC2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The InChIKey is FWXKNAKHRQOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)17-12(18)8-11(13(17)19)16-14(20)15-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3,(H2,15,16,20).
What are the key properties of 1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea?
1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea has a molecular weight of 281.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 71852782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).