1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea

C13H26N2O2 — CID 58004819

IUPAC1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCCO
InChIInChI=1S/C13H26N2O2/c1-9(2)11-5-4-10(3)8-12(11)15-13(17)14-6-7-16/h9-12,16H,4-8H2,1-3H3,(H2,14,15,17)/t10-,11+,12+/m1/s1
InChIKeyBNQGEVGARYJEGD-WOPDTQHZSA-N
MW242.36 g/mol
LogP1.74
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea

1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea (PubChem CID 58004819) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea
PubChem CID58004819
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCCO
InChIInChI=1S/C13H26N2O2/c1-9(2)11-5-4-10(3)8-12(11)15-13(17)14-6-7-16/h9-12,16H,4-8H2,1-3H3,(H2,14,15,17)/t10-,11+,12+/m1/s1
InChIKeyBNQGEVGARYJEGD-WOPDTQHZSA-N
XLogP1.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea (CID 58004819) is 1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea is CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea?
The InChIKey is BNQGEVGARYJEGD-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)11-5-4-10(3)8-12(11)15-13(17)14-6-7-16/h9-12,16H,4-8H2,1-3H3,(H2,14,15,17)/t10-,11+,12+/m1/s1.
What are the key properties of 1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea?
1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea has a molecular weight of 242.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea is sourced from PubChem (CID 58004819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).