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

C17H24N2O2 — CID 129336295

IUPAC1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
SMILESC[C@@H]1C[C@H]1CNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-12-9-15(12)11-19-17(20)18-10-14-7-8-21-16(14)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H2,18,19,20)/t12-,14-,15+,16-/m1/s1
InChIKeyQLBWGVGVJCWUDX-DMRZNYOFSA-N
MW288.39 g/mol
LogP2.72
Rot. Bonds5

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

1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea (PubChem CID 129336295) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
PubChem CID129336295
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
SMILESC[C@@H]1C[C@H]1CNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-12-9-15(12)11-19-17(20)18-10-14-7-8-21-16(14)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H2,18,19,20)/t12-,14-,15+,16-/m1/s1
InChIKeyQLBWGVGVJCWUDX-DMRZNYOFSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129331695
cis-(1S,2R)-2-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402634
1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129000845
(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-[(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
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea
CID 71864345
(3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 129400499
5-methyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129000874
1-(2-methoxyethyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 126772714
1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea
CID 136585949

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea?
The IUPAC name of 1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea (CID 129336295) is 1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea is C[C@@H]1C[C@H]1CNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1.
What is the InChIKey of 1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea?
The InChIKey is QLBWGVGVJCWUDX-DMRZNYOFSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-9-15(12)11-19-17(20)18-10-14-7-8-21-16(14)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H2,18,19,20)/t12-,14-,15+,16-/m1/s1.
What are the key properties of 1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea?
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea has a molecular weight of 288.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea is sourced from PubChem (CID 129336295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).