1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea

C15H30N6O5 — CID 40879707

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
SMILESCN1C(=O)N(C)[C@@H](NC(=O)NC(C)(C)CO)[C@@H]1NC(=O)NC(C)(C)CO
InChIInChI=1S/C15H30N6O5/c1-14(2,7-22)18-11(24)16-9-10(21(6)13(26)20(9)5)17-12(25)19-15(3,4)8-23/h9-10,22-23H,7-8H2,1-6H3,(H2,16,18,24)(H2,17,19,25)/t9-,10-/m1/s1
InChIKeyXTKLRTNMQXUHGX-NXEZZACHSA-N
MW374.44 g/mol
LogP-1.22
Rot. Bonds6

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea (PubChem CID 40879707) has the molecular formula C15H30N6O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
PubChem CID40879707
Molecular FormulaC15H30N6O5
Molecular Weight374.44 g/mol
Exact Mass374.23
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
SMILESCN1C(=O)N(C)[C@@H](NC(=O)NC(C)(C)CO)[C@@H]1NC(=O)NC(C)(C)CO
InChIInChI=1S/C15H30N6O5/c1-14(2,7-22)18-11(24)16-9-10(21(6)13(26)20(9)5)17-12(25)19-15(3,4)8-23/h9-10,22-23H,7-8H2,1-6H3,(H2,16,18,24)(H2,17,19,25)/t9-,10-/m1/s1
InChIKeyXTKLRTNMQXUHGX-NXEZZACHSA-N
XLogP-1.22
TPSA146.27 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 5-1.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea (CID 40879707) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea is CN1C(=O)N(C)[C@@H](NC(=O)NC(C)(C)CO)[C@@H]1NC(=O)NC(C)(C)CO.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
The InChIKey is XTKLRTNMQXUHGX-NXEZZACHSA-N. The full InChI is InChI=1S/C15H30N6O5/c1-14(2,7-22)18-11(24)16-9-10(21(6)13(26)20(9)5)17-12(25)19-15(3,4)8-23/h9-10,22-23H,7-8H2,1-6H3,(H2,16,18,24)(H2,17,19,25)/t9-,10-/m1/s1.
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea has a molecular weight of 374.44 g/mol, XLogP of -1.22, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea is sourced from PubChem (CID 40879707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).