1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea

C13H24N2O3 — CID 96565801

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea
SMILESCO[C@@H]1CCCC[C@H]1NC(=O)N(CCO)C1CC1
InChIInChI=1S/C13H24N2O3/c1-18-12-5-3-2-4-11(12)14-13(17)15(8-9-16)10-6-7-10/h10-12,16H,2-9H2,1H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyJBKAHYBGXGGCEY-VXGBXAGGSA-N
MW256.35 g/mol
LogP1.11
Rot. Bonds5

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea (PubChem CID 96565801) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea
PubChem CID96565801
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea
SMILESCO[C@@H]1CCCC[C@H]1NC(=O)N(CCO)C1CC1
InChIInChI=1S/C13H24N2O3/c1-18-12-5-3-2-4-11(12)14-13(17)15(8-9-16)10-6-7-10/h10-12,16H,2-9H2,1H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyJBKAHYBGXGGCEY-VXGBXAGGSA-N
XLogP1.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea (CID 96565801) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea is CO[C@@H]1CCCC[C@H]1NC(=O)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea?
The InChIKey is JBKAHYBGXGGCEY-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-18-12-5-3-2-4-11(12)14-13(17)15(8-9-16)10-6-7-10/h10-12,16H,2-9H2,1H3,(H,14,17)/t11-,12-/m1/s1.
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea has a molecular weight of 256.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea is sourced from PubChem (CID 96565801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).