1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea

C13H24N2O2 — CID 27450560

IUPAC1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
SMILESC[C@@H](NC(=O)NC1CCCCC1)[C@@H]1CCCO1
InChIInChI=1S/C13H24N2O2/c1-10(12-8-5-9-17-12)14-13(16)15-11-6-3-2-4-7-11/h10-12H,2-9H2,1H3,(H2,14,15,16)/t10-,12+/m1/s1
InChIKeyJBKLNOYKBRTWAA-PWSUYJOCSA-N
MW240.35 g/mol
LogP2.19
Rot. Bonds3

About 1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea

1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea (PubChem CID 27450560) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
PubChem CID27450560
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
SMILESC[C@@H](NC(=O)NC1CCCCC1)[C@@H]1CCCO1
InChIInChI=1S/C13H24N2O2/c1-10(12-8-5-9-17-12)14-13(16)15-11-6-3-2-4-7-11/h10-12H,2-9H2,1H3,(H2,14,15,16)/t10-,12+/m1/s1
InChIKeyJBKLNOYKBRTWAA-PWSUYJOCSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 38311387
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 94029201
N-cyclopentyl-2-[1-(oxolan-2-yl)ethylamino]propanamide
CID 43329481
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide
CID 95313447
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825
2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 6466404
N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide
CID 64563784
1-[(2R)-2-methylsulfanylpropyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97087333
1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 111504834

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea (CID 27450560) is 1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea is C[C@@H](NC(=O)NC1CCCCC1)[C@@H]1CCCO1.
What is the InChIKey of 1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The InChIKey is JBKLNOYKBRTWAA-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(12-8-5-9-17-12)14-13(16)15-11-6-3-2-4-7-11/h10-12H,2-9H2,1H3,(H2,14,15,16)/t10-,12+/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea?
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea has a molecular weight of 240.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 27450560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).