1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea

C17H26N2O2 — CID 129331695

IUPAC1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
SMILESCC(C)[C@@H](C)NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-12(2)13(3)19-17(20)18-11-15-9-10-21-16(15)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H2,18,19,20)/t13-,15-,16-/m1/s1
InChIKeyJUTPALSTBBCXOL-FVQBIDKESA-N
MW290.41 g/mol
LogP3.11
Rot. Bonds5

About 1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea

1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea (PubChem CID 129331695) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
PubChem CID129331695
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
SMILESCC(C)[C@@H](C)NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-12(2)13(3)19-17(20)18-11-15-9-10-21-16(15)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H2,18,19,20)/t13-,15-,16-/m1/s1
InChIKeyJUTPALSTBBCXOL-FVQBIDKESA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
1-[(1R)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124505433
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124622593
(2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 129328039
N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 129004071
1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea
CID 136585949
1-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 124832309
1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129000845
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea
CID 71864345
cis-(1S,2R)-2-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402634
N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyridin-3-ylpropanamide
CID 129002179
1-heptan-2-yl-2-methyl-3-[(2-phenyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 111793267

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea?
The IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea (CID 129331695) is 1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea is CC(C)[C@@H](C)NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea?
The InChIKey is JUTPALSTBBCXOL-FVQBIDKESA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)13(3)19-17(20)18-11-15-9-10-21-16(15)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H2,18,19,20)/t13-,15-,16-/m1/s1.
What are the key properties of 1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea?
1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea has a molecular weight of 290.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea is sourced from PubChem (CID 129331695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).