1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea

C11H22N4O3 — CID 948917

IUPAC1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea
SMILESCCCN1C(=O)N(C)[C@@H](N(O)C(=O)NC)C1(C)C
InChIInChI=1S/C11H22N4O3/c1-6-7-14-10(17)13(5)8(11(14,2)3)15(18)9(16)12-4/h8,18H,6-7H2,1-5H3,(H,12,16)/t8-/m0/s1
InChIKeyDKRLPDICOVAYRT-QMMMGPOBSA-N
MW258.32 g/mol
LogP0.90
Rot. Bonds3

About 1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea

1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea (PubChem CID 948917) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea.

Molecular Properties

Compound Name1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea
PubChem CID948917
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea
SMILESCCCN1C(=O)N(C)[C@@H](N(O)C(=O)NC)C1(C)C
InChIInChI=1S/C11H22N4O3/c1-6-7-14-10(17)13(5)8(11(14,2)3)15(18)9(16)12-4/h8,18H,6-7H2,1-5H3,(H,12,16)/t8-/m0/s1
InChIKeyDKRLPDICOVAYRT-QMMMGPOBSA-N
XLogP0.90
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.90
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'}

Analyze 1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea?
The IUPAC name of 1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea (CID 948917) is 1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea.
What is the SMILES notation for 1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea?
The canonical SMILES for 1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea is CCCN1C(=O)N(C)[C@@H](N(O)C(=O)NC)C1(C)C.
What is the InChIKey of 1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea?
The InChIKey is DKRLPDICOVAYRT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-6-7-14-10(17)13(5)8(11(14,2)3)15(18)9(16)12-4/h8,18H,6-7H2,1-5H3,(H,12,16)/t8-/m0/s1.
What are the key properties of 1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea?
1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea has a molecular weight of 258.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-1-[(4S)-3,5,5-trimethyl-2-oxo-1-propylimidazolidin-4-yl]urea is sourced from PubChem (CID 948917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).