1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea

C11H22N2O3 — CID 853062

IUPAC1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea
SMILESCC(CO)(CO)NC(=O)NC1CCCCC1
InChIInChI=1S/C11H22N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h9,14-15H,2-8H2,1H3,(H2,12,13,16)
InChIKeyDLFWNESJEVODFU-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.36
Rot. Bonds4

About 1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea

1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea (PubChem CID 853062) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea
PubChem CID853062
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea
SMILESCC(CO)(CO)NC(=O)NC1CCCCC1
InChIInChI=1S/C11H22N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h9,14-15H,2-8H2,1H3,(H2,12,13,16)
InChIKeyDLFWNESJEVODFU-UHFFFAOYSA-N
XLogP0.36
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cyclohexyl-N'-(2-hydroxy-1,1-dimethylethyl)urea
CID 853713
N-Cyclohexyl-N'-(2-hydroxyethyl)urea
CID 522238
N-Cyclohexyl-N'-(3-hydroxypropyl)urea
CID 2061174
1-cyclohexyl-3-[(1R)-1-(hydroxymethyl)propyl]urea
CID 51374342
1-tert-butyl-3-[(1R)-1-(hydroxymethyl)propyl]urea
CID 72196934
1-cyclohexyl-3-[(2R)-2-cyclopropyl-1-hydroxypropan-2-yl]urea
CID 96538280
1-(4,4-Difluorocyclohexyl)-3-(2-hydroxyethyl)urea
CID 132970432
1-Hexyl-3-(2-hydroxyethyl)urea
CID 21270271
1-Butyl-3-(2-hydroxycyclohexyl)urea
CID 62358500
3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea
CID 126793964
1-Cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea
CID 12696599
N-Cyclohexyl-N'-(1-(hydroxymethyl)propyl)urea
CID 4059234

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea (CID 853062) is 1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea is CC(CO)(CO)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea?
The InChIKey is DLFWNESJEVODFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h9,14-15H,2-8H2,1H3,(H2,12,13,16).
What are the key properties of 1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea?
1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea has a molecular weight of 230.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 853062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).