1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea

C14H28N2O3 — CID 124618076

IUPAC1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea
SMILESCOC(C)(C)C[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H28N2O3/c1-10(9-14(2,3)19-4)15-13(18)16-11-7-5-6-8-12(11)17/h10-12,17H,5-9H2,1-4H3,(H2,15,16,18)/t10-,11+,12+/m0/s1
InChIKeyAZTWYEWSLWODKO-QJPTWQEYSA-N
MW272.39 g/mol
LogP1.79
Rot. Bonds5

About 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea

1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea (PubChem CID 124618076) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea
PubChem CID124618076
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea
SMILESCOC(C)(C)C[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H28N2O3/c1-10(9-14(2,3)19-4)15-13(18)16-11-7-5-6-8-12(11)17/h10-12,17H,5-9H2,1-4H3,(H2,15,16,18)/t10-,11+,12+/m0/s1
InChIKeyAZTWYEWSLWODKO-QJPTWQEYSA-N
XLogP1.79
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea?
The IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea (CID 124618076) is 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea?
The canonical SMILES for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea is COC(C)(C)C[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea?
The InChIKey is AZTWYEWSLWODKO-QJPTWQEYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(9-14(2,3)19-4)15-13(18)16-11-7-5-6-8-12(11)17/h10-12,17H,5-9H2,1-4H3,(H2,15,16,18)/t10-,11+,12+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea?
1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea has a molecular weight of 272.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[(2S)-4-methoxy-4-methylpentan-2-yl]urea is sourced from PubChem (CID 124618076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).