1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea

C12H22N2O2 — CID 63237441

IUPAC1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CC1)NC1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-11(9-6-7-9)8-13-12(16)14-10-4-2-1-3-5-10/h9-11,15H,1-8H2,(H2,13,14,16)
InChIKeyMLNRRPYEMDMPRO-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.39
Rot. Bonds4

About 1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea

1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea (PubChem CID 63237441) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
PubChem CID63237441
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESO=C(NCC(O)C1CC1)NC1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-11(9-6-7-9)8-13-12(16)14-10-4-2-1-3-5-10/h9-11,15H,1-8H2,(H2,13,14,16)
InChIKeyMLNRRPYEMDMPRO-UHFFFAOYSA-N
XLogP1.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-(2,2-dicyclopropylethyl)urea
CID 113245022
3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid
CID 66167145
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
N-(2-cyclopentyl-2-hydroxyethyl)-N'-cyclopropyloxamide
CID 111425530
1-cyclohexyl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea
CID 86266687
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 95292122
1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 97080512
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea (CID 63237441) is 1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea is O=C(NCC(O)C1CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The InChIKey is MLNRRPYEMDMPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-11(9-6-7-9)8-13-12(16)14-10-4-2-1-3-5-10/h9-11,15H,1-8H2,(H2,13,14,16).
What are the key properties of 1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea?
1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea has a molecular weight of 226.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-cyclopropyl-2-hydroxyethyl)urea is sourced from PubChem (CID 63237441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).