1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea

C13H26N2O2 — CID 111751169

IUPAC1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea
SMILESCC(CO)NC(=O)NC1CCC(C)(C)CC1C
InChIInChI=1S/C13H26N2O2/c1-9-7-13(3,4)6-5-11(9)15-12(17)14-10(2)8-16/h9-11,16H,5-8H2,1-4H3,(H2,14,15,17)
InChIKeyUNPKJGOHQOUFLD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.88
Rot. Bonds3

About 1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea

1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea (PubChem CID 111751169) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea
PubChem CID111751169
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea
SMILESCC(CO)NC(=O)NC1CCC(C)(C)CC1C
InChIInChI=1S/C13H26N2O2/c1-9-7-13(3,4)6-5-11(9)15-12(17)14-10(2)8-16/h9-11,16H,5-8H2,1-4H3,(H2,14,15,17)
InChIKeyUNPKJGOHQOUFLD-UHFFFAOYSA-N
XLogP1.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-Dimethylcyclohexyl)-3-(2-methoxyethyl)urea
CID 72108586
1-[(2S)-1-hydroxybutan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 86817460
1-(1-Hydroxypropan-2-yl)-1-methyl-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 109923206
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 112311996
1-(1-Hydroxy-4,4-dimethylpentan-2-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 112373908
1-(2-hydroxyethyl)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]urea
CID 58004819
1-(3-hydroxypropyl)-3-[(1R,2R)-2-propan-2-ylcyclohexyl]urea
CID 70943618
1-(2-Hydroxyethyl)-3-(4-methylcyclohexyl)-1-sulfanylurea
CID 88101256
3-(2-Hydroxyethyl)-1-(2-methylcyclohexyl)-1-sulfanylurea
CID 88101312
1-(2-Ethylcyclohexyl)-3-(2-hydroxyethyl)-1-sulfanylurea
CID 88101314
1-(2-hydroxyethyl)-3-[(1R,2R)-2-propylcyclohexyl]-1-sulfanylurea
CID 88101360
1-(2-Hydroxyethyl)-3-(3-methylcyclohexyl)-1-sulfanylurea
CID 88105790

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea (CID 111751169) is 1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea is CC(CO)NC(=O)NC1CCC(C)(C)CC1C.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea?
The InChIKey is UNPKJGOHQOUFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9-7-13(3,4)6-5-11(9)15-12(17)14-10(2)8-16/h9-11,16H,5-8H2,1-4H3,(H2,14,15,17).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea?
1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea has a molecular weight of 242.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea is sourced from PubChem (CID 111751169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).