3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea

C23H42N4O3 — CID 40634215

IUPAC3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea
SMILESCC(C)CCN1C(=O)N(C2CCCCC2)[C@H](N(O)C(=O)NC2CCCCC2)C1(C)C
InChIInChI=1S/C23H42N4O3/c1-17(2)15-16-25-22(29)26(19-13-9-6-10-14-19)20(23(25,3)4)27(30)21(28)24-18-11-7-5-8-12-18/h17-20,30H,5-16H2,1-4H3,(H,24,28)/t20-/m1/s1
InChIKeyPRHILGZPAVBMHH-HXUWFJFHSA-N
MW422.61 g/mol
LogP4.94
Rot. Bonds6

About 3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea

3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea (PubChem CID 40634215) has the molecular formula C23H42N4O3 and a molecular weight of 422.61 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea.

Molecular Properties

Compound Name3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea
PubChem CID40634215
Molecular FormulaC23H42N4O3
Molecular Weight422.61 g/mol
Exact Mass422.33
IUPAC Name3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea
SMILESCC(C)CCN1C(=O)N(C2CCCCC2)[C@H](N(O)C(=O)NC2CCCCC2)C1(C)C
InChIInChI=1S/C23H42N4O3/c1-17(2)15-16-25-22(29)26(19-13-9-6-10-14-19)20(23(25,3)4)27(30)21(28)24-18-11-7-5-8-12-18/h17-20,30H,5-16H2,1-4H3,(H,24,28)/t20-/m1/s1
InChIKeyPRHILGZPAVBMHH-HXUWFJFHSA-N
XLogP4.94
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 54.94
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

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CID 3287982
3-cyclohexyl-1-[(4S)-1,3-dicyclohexyl-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 40634865
3-cyclohexyl-1-hydroxy-1-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)urea
CID 666634
(3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 40515594
3-cyclobutyl-1-cyclopentyl-1-(3-methylbutyl)urea
CID 115642218
N-cycloheptyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 46272326
(11S)-N-cyclohexyl-4,11-dimethyl-10-(3-methylbutyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92903462
3-methylbutyl N-cyclohexylcarbamate
CID 86243713
3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736
1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea
CID 948917
N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574753
3-cyclohexyl-1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-1-(2-methylpropyl)urea
CID 42696683

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
The IUPAC name of 3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea (CID 40634215) is 3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea.
What is the SMILES notation for 3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
The canonical SMILES for 3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea is CC(C)CCN1C(=O)N(C2CCCCC2)[C@H](N(O)C(=O)NC2CCCCC2)C1(C)C.
What is the InChIKey of 3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
The InChIKey is PRHILGZPAVBMHH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H42N4O3/c1-17(2)15-16-25-22(29)26(19-13-9-6-10-14-19)20(23(25,3)4)27(30)21(28)24-18-11-7-5-8-12-18/h17-20,30H,5-16H2,1-4H3,(H,24,28)/t20-/m1/s1.
What are the key properties of 3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea?
3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea has a molecular weight of 422.61 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(4R)-3-cyclohexyl-5,5-dimethyl-1-(3-methylbutyl)-2-oxoimidazolidin-4-yl]-1-hydroxyurea is sourced from PubChem (CID 40634215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).