1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea

C13H22N2O2 — CID 75457866

IUPAC1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea
SMILESC#CCNC(=O)N(CC(C)O)C1CCCCC1
InChIInChI=1S/C13H22N2O2/c1-3-9-14-13(17)15(10-11(2)16)12-7-5-4-6-8-12/h1,11-12,16H,4-10H2,2H3,(H,14,17)
InChIKeyORWXLQBYOJYXPO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.34
Rot. Bonds4

About 1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea

1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea (PubChem CID 75457866) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea.

Molecular Properties

Compound Name1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea
PubChem CID75457866
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea
SMILESC#CCNC(=O)N(CC(C)O)C1CCCCC1
InChIInChI=1S/C13H22N2O2/c1-3-9-14-13(17)15(10-11(2)16)12-7-5-4-6-8-12/h1,11-12,16H,4-10H2,2H3,(H,14,17)
InChIKeyORWXLQBYOJYXPO-UHFFFAOYSA-N
XLogP1.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-prop-2-ynylurea
CID 97308157
2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide
CID 154848803
3-[4-(cyanomethyl)phenyl]-1-cyclohexyl-1-(2-hydroxypropyl)urea
CID 86784494
N-prop-2-ynylcyclooctanecarboxamide
CID 65020760
1-methyl-1-propan-2-yl-3-prop-2-ynylurea
CID 130917729
1-cyclohexyl-3-(2-ethylpyrimidin-5-yl)-1-(2-hydroxypropyl)urea
CID 75505185
4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840485
(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840486
1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea
CID 97261269
1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 75457865
1-cyclopentyl-3-cyclopropyl-1-(2-methylpropyl)urea
CID 115597168
2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea?
The IUPAC name of 1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea (CID 75457866) is 1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea.
What is the SMILES notation for 1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea?
The canonical SMILES for 1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea is C#CCNC(=O)N(CC(C)O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea?
The InChIKey is ORWXLQBYOJYXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-9-14-13(17)15(10-11(2)16)12-7-5-4-6-8-12/h1,11-12,16H,4-10H2,2H3,(H,14,17).
What are the key properties of 1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea?
1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea has a molecular weight of 238.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea is sourced from PubChem (CID 75457866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).