3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea

C21H38N4O3 — CID 3287982

IUPAC3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea
SMILESCCCN1C(=O)N(C2CCCCC2)C(N(O)C(=O)NC2CCCCC2)C1(C)C
InChIInChI=1S/C21H38N4O3/c1-4-15-23-20(27)24(17-13-9-6-10-14-17)18(21(23,2)3)25(28)19(26)22-16-11-7-5-8-12-16/h16-18,28H,4-15H2,1-3H3,(H,22,26)
InChIKeyUZEXAXMDLWULEO-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.30
Rot. Bonds5

About 3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea

3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea (PubChem CID 3287982) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea.

Molecular Properties

Compound Name3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea
PubChem CID3287982
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC Name3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea
SMILESCCCN1C(=O)N(C2CCCCC2)C(N(O)C(=O)NC2CCCCC2)C1(C)C
InChIInChI=1S/C21H38N4O3/c1-4-15-23-20(27)24(17-13-9-6-10-14-17)18(21(23,2)3)25(28)19(26)22-16-11-7-5-8-12-16/h16-18,28H,4-15H2,1-3H3,(H,22,26)
InChIKeyUZEXAXMDLWULEO-UHFFFAOYSA-N
XLogP4.30
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 40634215
3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 40634865
1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea
CID 948917
3-cyclohexyl-1-hydroxy-1-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)urea
CID 666634
N-cyclopentyl-1-ethyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 45106070
N-cyclooctyl-3-methyl-1-oxo-2-propyl-4H-isoquinoline-3-carboxamide
CID 20885771
N-cyclopentyl-1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247056
N-(cyclohexylcarbamoyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626428
1-cyclohexyl-3-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]urea
CID 110641769
1-[(4S)-1-cyclohexyl-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 7361016
N-cyclohexyl-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624888
N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273111

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea?
The IUPAC name of 3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea (CID 3287982) is 3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea.
What is the SMILES notation for 3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea?
The canonical SMILES for 3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea is CCCN1C(=O)N(C2CCCCC2)C(N(O)C(=O)NC2CCCCC2)C1(C)C.
What is the InChIKey of 3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea?
The InChIKey is UZEXAXMDLWULEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-4-15-23-20(27)24(17-13-9-6-10-14-17)18(21(23,2)3)25(28)19(26)22-16-11-7-5-8-12-16/h16-18,28H,4-15H2,1-3H3,(H,22,26).
What are the key properties of 3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea?
3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea has a molecular weight of 394.56 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3-cyclohexyl-5,5-dimethyl-2-oxo-1-propylimidazolidin-4-yl)-1-hydroxyurea is sourced from PubChem (CID 3287982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).