1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea

C13H24N2O2 — CID 96538280

IUPAC1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea
SMILESC[C@@](CO)(NC(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-13(9-16,10-7-8-10)15-12(17)14-11-5-3-2-4-6-11/h10-11,16H,2-9H2,1H3,(H2,14,15,17)/t13-/m0/s1
InChIKeyKRJNAAAUNIWKMZ-ZDUSSCGKSA-N
MW240.35 g/mol
LogP1.78
Rot. Bonds4

About 1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea

1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea (PubChem CID 96538280) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea
PubChem CID96538280
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea
SMILESC[C@@](CO)(NC(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-13(9-16,10-7-8-10)15-12(17)14-11-5-3-2-4-6-11/h10-11,16H,2-9H2,1H3,(H2,14,15,17)/t13-/m0/s1
InChIKeyKRJNAAAUNIWKMZ-ZDUSSCGKSA-N
XLogP1.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea (CID 96538280) is 1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea is C[C@@](CO)(NC(=O)NC1CCCCC1)C1CC1.
What is the InChIKey of 1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea?
The InChIKey is KRJNAAAUNIWKMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(9-16,10-7-8-10)15-12(17)14-11-5-3-2-4-6-11/h10-11,16H,2-9H2,1H3,(H2,14,15,17)/t13-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea?
1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea has a molecular weight of 240.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 96538280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).